HIT ID: HIT213334381
Cas No: 24672-84-2
分子式: C13H14O3
分子量: 218.252
常用名: Demethylisoencecalin
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 3.63
IUPAC: 1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
IUPAC: 1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)ethan-1-one
SMILES: CC(=O)c1ccc2OC(C)(C)C=Cc2c1O |c:11|
SMILES: CC(=O)c1ccc2OC(C)(C)C=Cc2c1O |c:11|
InChI key: GHZRKUIAWAOWRH-UHFFFAOYSA-N