803745-54-2
2-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-3-OXO-BUTANOIC ACID, 2-METHYLPROPYL ESTER
Name2-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-3-OXO-BUTANOIC ACID, 2-METHYLPROPYL ESTER
1Identification
【Name】
2-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-3-OXO-BUTANOIC ACID, 2-METHYLPROPYL ESTER
【CAS】
【MDL】
MFCD09839562
【English Synonyms】
【Formula】
C17 H22 O6
【MolWeight】
322.355
【Inchi】
InChI=1S/C17H22O6/c1-10(2)9-23-17(20)13(11(3)18)6-12-7-14(21-4)16(19)15(8-12)22-5/h6-8,10,19H,9H2,1-5H3/b13-6+
【InChIKey】
InChIKey=PDESNCOGGVWEHG-AWNIVKPZSA-N
【SMILES】
CC(C)COC(=O)/C(=C/c1cc(c(c(c1)OC)O)OC)/C(=O)C
【MOL File】
2-[(4-HYDROXY-3,5-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-HYDROXY-3,5-DIMETHOXYPHENYL)METHYLENE]-3-OXO-BUTANOIC ACID, 2-METHYLPROPYL ESTER.cml