56058-30-1
4-METHYL-6-OXO-4-CYCLOHEXENE-1,3-DICARBOXYLIC ACID DIETHYL ESTER
Name4-METHYL-6-OXO-4-CYCLOHEXENE-1,3-DICARBOXYLIC ACID DIETHYL ESTER
1Identification
【Name】
4-METHYL-6-OXO-4-CYCLOHEXENE-1,3-DICARBOXYLIC ACID DIETHYL ESTER
【CAS】
【MDL】
MFCD18973117
【English Synonyms】
【Formula】
C13 H18 O5
【MolWeight】
254.28
【Inchi】
InChI=1S/C13H18O5/c1-4-17-12(15)9-7-10(13(16)18-5-2)11(14)6-8(9)3/h6,9-10H,4-5,7H2,1-3H3
【InChIKey】
InChIKey=IDMHGIAPITVDPT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CC(C(=O)C=C1C)C(=O)OCC
【MOL File】
4-METHYL-6-OXO-4-CYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-6-OXO-4-CYCLOHEXENE-1,3-DICARBOXYLIC ACID DIETHYL ESTER.cml