735269-83-7
CIS-3-(2,4-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
NameCIS-3-(2,4-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
1Identification
【Name】
CIS-3-(2,4-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01319755
【English Synonyms】
【Formula】
C16 H20 O3
【MolWeight】
260.331
【Inchi】
InChI=1S/C16H20O3/c1-10-6-7-14(11(2)8-10)15(17)12-4-3-5-13(9-12)16(18)19/h6-8,12-13H,3-5,9H2,1-2H3,(H,18,19)/t12-,13+/m1/s1
【InChIKey】
InChIKey=HLTVLHNGJQWHMI-OLZOCXBDSA-N
【SMILES】
Cc1ccc(c(c1)C)C(=O)[C@@H]2CCC[C@@H](C2)C(=O)O
【MOL File】
CIS-3-(2,4-DIMETHYLB….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-(2,4-DIMETHYLBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID.cml