HIT ID: HIT212664506
Cas No: 67879-58-7
分子式: C13H12O9
分子量: 312.23
常用名: Caftaric acid
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: 0.5979602
IUPAC: (2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid
IUPAC: (2R,3R)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxybutanedioic acid
SMILES: O[C@H]([C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O
SMILES: O[C@H]([C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O
InChI key: SWGKAHCIOQPKFW-JTNORFRNSA-N
