4855-64-5
6,6-BIS-(4-HYDROXYPHENYL)-3-(1-HYDROXY-1-ME-ETHYL)HEPTANOIC ACID GAMMA-LACTONE
Name6,6-BIS-(4-HYDROXYPHENYL)-3-(1-HYDROXY-1-ME-ETHYL)HEPTANOIC ACID GAMMA-LACTONE
1Identification
【Name】
6,6-BIS-(4-HYDROXYPHENYL)-3-(1-HYDROXY-1-ME-ETHYL)HEPTANOIC ACID GAMMA-LACTONE
【CAS】
【MDL】
MFCD02728653
【EnglishSynonyms】
【pro_formula】
C22 H26 O4
【pro_molWeight】
354.443
【Inchi】
InChI=1S/C22H26O4/c1-21(2)17(14-20(25)26-21)12-13-22(3,15-4-8-18(23)9-5-15)16-6-10-19(24)11-7-16/h4-11,17,23-24H,12-14H2,1-3H3
【InChIKey】
InChIKey=WWWPWLOCWANBSX-UHFFFAOYSA-N
【SMILES】
CC1(C(CC(=O)O1)CCC(C)(c2ccc(cc2)O)c3ccc(cc3)O)C
【MOL File】
6,6-BIS-(4-HYDROXYPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6,6-BIS-(4-HYDROXYPHENYL)-3-(1-HYDROXY-1-ME-ETHYL)HEPTANOIC ACID GAMMA-LACTONE.cml