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Showing NP-Card for Potassium hydroxide (KOH) (NP0337315)

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Record Information
Version2.0
Created at2024-09-11 10:17:54 UTC
Updated at2024-09-11 10:17:54 UTC
NP-MRD IDNP0337315
Secondary Accession NumbersNone
Natural Product Identification
Common NamePotassium hydroxide (KOH)
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337315 (Potassium hydroxide (KOH))


  Mrv0541 02241217032D          

  2  0  0  0  0  0            999 V2000
    0.0000  -68.9429    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   68.9429    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0337315 (Potassium hydroxide (KOH))

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3D SDF for NP0337315 (Potassium hydroxide (KOH))

  Mrv0541 02241217032D          

  2  0  0  0  0  0            999 V2000
    0.0000  -68.9429    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   68.9429    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0337315

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[OH-].[K+]

> <INCHI_IDENTIFIER>
InChI=1S/K.H2O/h;1H2/q+1;/p-1

> <INCHI_KEY>
KWYUFKZDYYNOTN-UHFFFAOYSA-M

> <FORMULA>
HKO

> <MOLECULAR_WEIGHT>
56.1056

> <EXACT_MASS>
55.966446515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium hydroxide

> <JCHEM_LOGP>
0.2

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
potassium hydroxide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337315 (Potassium hydroxide (KOH))
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PDB for NP0337315 (Potassium hydroxide (KOH))
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  K   UNK     0       0.000-128.693   0.000  0.00  0.00           K+1
HETATM    2  O   UNK     0       0.000 128.693   0.000  0.00  0.00           O-1
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0337315 (Potassium hydroxide (KOH))
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SMILES for NP0337315 (Potassium hydroxide (KOH))
[OH-].[K+]
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INCHI for NP0337315 (Potassium hydroxide (KOH))
InChI=1S/K.H2O/h;1H2/q+1;/p-1
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Synonyms
ValueSource
AetzkaliChEBI
Caustic potashChEBI
Hydroxyde de potassiumChEBI
KaliumhydroxidChEBI
KOHChEBI
Potash lyeChEBI
Potasse caustiqueChEBI
Potassium hydroxide, 39K-labeledMeSH
Potassium hydroxide, 41K-labeledMeSH
Potassium hydroxide monohydrateMeSH
Potassium hydroxide tetrahydrateMeSH
Chemical FormulaHKO
Average Mass56.1056 Da
Monoisotopic Mass55.96645 Da
IUPAC Namepotassium hydroxide
Traditional Namepotassium hydroxide
CAS Registry NumberNot Available
SMILES
[OH-].[K+]
InChI Identifier
InChI=1S/K.H2O/h;1H2/q+1;/p-1
InChI KeyKWYUFKZDYYNOTN-UHFFFAOYSA-M
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkali metal hydroxides. These are inorganic compounds in which the largest oxoanion is hydroxide, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkali metal oxoanionic compounds  
Sub ClassAlkali metal hydroxides  
Direct ParentAlkali metal hydroxides  
Alternative Parents
Substituents
  • Alkali metal hydroxide
    • 

  • Inorganic hydride
    • 

  • Inorganic oxide
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.2ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB11153  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015411  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC12568  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPotassium hydroxide  
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID32035  
Good Scents IDNot Available
References
General ReferencesNot Available