25960-25-2
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
NameETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
1Identification
【Name】
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD02031258
【English Synonyms】
【Formula】
C22 H22 O4
【MolWeight】
350.412
【Inchi】
InChI=1S/C22H22O4/c1-3-26-22(24)21-19(16-7-5-4-6-8-16)13-17(14-20(21)23)15-9-11-18(25-2)12-10-15/h4-12,14,19,21H,3,13H2,1-2H3
【InChIKey】
InChIKey=AEZUZXYVWGQRLK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1C(CC(=CC1=O)c2ccc(cc2)OC)c3ccccc3
【MOL File】
ETHYL 4-(4-METHOXYPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE.cml