156631-02-6
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(2-PROPEN-1-YL), METHYL ESTER
NameCYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(2-PROPEN-1-YL), METHYL ESTER
1Identification
【Name】
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(2-PROPEN-1-YL), METHYL ESTER
【CAS】
【MDL】
MFCD17018640
【English Synonyms】
【Formula】
C11 H16 O3
【MolWeight】
196.244
【Inchi】
InChI=1S/C11H16O3/c1-3-6-11(10(13)14-2)7-4-9(12)5-8-11/h3H,1,4-8H2,2H3
【InChIKey】
InChIKey=AMTGLIPXUVEJTP-UHFFFAOYSA-N
【SMILES】
COC(=O)C1(CCC(=O)CC1)CC=C
【MOL File】
CYCLOHEXANECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOHEXANECARBOXYLIC ACID, 4-OXO-1-(2-PROPEN-1-YL), METHYL ESTER.cml