173469-85-7
4H-1-BENZOPYRAN-6-ACETIC ACID, 2-(4-CHLOROPHENYL)-ALPHA-ETHYL-3-METHOX Y-4-OXO-, METHYL ESTER
Name
4H-1-BENZOPYRAN-6-ACETIC ACID, 2-(4-CHLOROPHENYL)-ALPHA-ETHYL-3-METHOX Y-4-OXO-, METHYL ESTER
Formula
C21 H19 Cl O5
MolWeight
386.829
1Identification
【Name】
4H-1-BENZOPYRAN-6-ACETIC ACID, 2-(4-CHLOROPHENYL)-ALPHA-ETHYL-3-METHOX Y-4-OXO-, METHYL ESTER
【CAS】
【MDL】
MFCD01762766
【English Synonyms】
【Formula】
C21 H19 Cl O5
【MolWeight】
386.829
【Inchi】
InChI=1S/C21H19ClO5/c1-4-15(21(24)26-3)13-7-10-17-16(11-13)18(23)20(25-2)19(27-17)12-5-8-14(22)9-6-12/h5-11,15H,4H2,1-3H3
【InChIKey】
InChIKey=SRXXFXJDSOTFQL-UHFFFAOYSA-N
【SMILES】
CCC(c1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC)C(=O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F