735275-06-6
CIS-3-[2-(3-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
NameCIS-3-[2-(3-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
1Identification
【Name】
CIS-3-[2-(3-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01319799
【English Synonyms】
【Formula】
C16 H20 O3
【MolWeight】
260.331
【Inchi】
InChI=1S/C16H20O3/c1-11-4-2-6-13(8-11)15(17)10-12-5-3-7-14(9-12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/m0/s1
【InChIKey】
InChIKey=JHRSKEGQMKSWEL-GXTWGEPZSA-N
【SMILES】
Cc1cccc(c1)C(=O)C[C@H]2CCC[C@H](C2)C(=O)O
【MOL File】
CIS-3-[2-(3-METHYLPH….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-METHYLPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID.cml