Mrv0541 02241210152D 13 13 0 0 0 0 999 V2000 0.3221 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0746 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -1.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 1.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8315 -0.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 M END > NP0047639 > NP-MRD > COC1=CC=C(C=C1)C(O)C(C)O > InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3 > MRDZSBVJWOXBRW-UHFFFAOYSA-N > C10H14O3 > 182.2164 > 182.094294314 > 3 > 19.441070089910163 > 1 > 2 > 0 > 1 > 1-(4-methoxyphenyl)propane-1,2-diol > 1.17 > 0.8344648656666667 > -0.87 > 0 > 1 > 0 > 15.349659989351196 > 13.458600736427947 > -3.0493812709079693 > 49.69 > 49.718399999999995 > 3 > 1 > 2.43e+01 g/l > 1-(4-methoxyphenyl)propane-1,2-diol > 0 > NP0047639 > threo-Anethole glycol $$$$