HIT ID: HIT102288407
Cas No: 1383995-51-4
分子式: C10H10O4
分子量: 194.186
常用名: Graviquinone
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 0.869
IUPAC: methyl (2E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate
IUPAC: methyl (2E)-3-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoate
SMILES: COC(=O)\C=C\C1(O)C=CC(=O)C=C1 |c:8,12|
SMILES: COC(=O)\C=C\C1(O)C=CC(=O)C=C1 |c:8,12|
InChI key: HVMSPHGUKBLNCL-QPJJXVBHSA-N