735275-16-8
CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
NameCIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
1Identification
【Name】
CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01319806
【English Synonyms】
【Formula】
C15 H17 Cl O3
【MolWeight】
280.749
【Inchi】
InChI=1S/C15H17ClO3/c16-13-6-2-4-11(9-13)14(17)8-10-3-1-5-12(7-10)15(18)19/h2,4,6,9-10,12H,1,3,5,7-8H2,(H,18,19)/t10-,12+/m0/s1
【InChIKey】
InChIKey=DFBMXSVOJDRHTE-CMPLNLGQSA-N
【SMILES】
c1cc(cc(c1)Cl)C(=O)C[C@H]2CCC[C@H](C2)C(=O)O
【MOL File】
CIS-3-[2-(3-CHLOROPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-3-[2-(3-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID.cml