Record Information |
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Version | 2.0 |
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Created at | 2022-12-13 17:51:16 UTC |
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Updated at | 2024-09-03 04:14:53 UTC |
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NP-MRD ID | NP0331202 |
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Natural Product DOI | https://doi.org/10.57994/0073 |
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Secondary Accession Numbers | |
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Natural Product Identification |
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Common Name | 2,3-dihydroxybenzamide |
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Description | Trencam-3,2-Hopo belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. Trencam-3,2-Hopo is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11) |
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Synonyms | Value | Source |
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2,3-Dihydroxybenzene-1-carboximidate | Generator |
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Chemical Formula | C7H7NO3 |
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Average Mass | 153.1354 Da |
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Monoisotopic Mass | 153.04259 Da |
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IUPAC Name | 2,3-dihydroxybenzamide |
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Traditional Name | trencam-3,2-hopo |
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CAS Registry Number | Not Available |
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SMILES | NC(=O)C1=CC=CC(O)=C1O |
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InChI Identifier | InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11) |
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InChI Key | QCIDBNKTKNBPKM-UHFFFAOYSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | ravishankar@niist.res.in | Not Available | Not Available | 2022-12-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | ravishankar@niist.res.in | Not Available | Not Available | 2022-12-13 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzoic acids and derivatives |
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Direct Parent | Salicylamides |
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Alternative Parents | |
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Substituents | - Salicylamide
- Benzamide
- Benzoyl
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Vinylogous acid
- Carboxamide group
- Primary carboxylic acid amide
- Carboxylic acid derivative
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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