54541-41-2
ALPHA,BETA-DIMETHYL-BENZENEPROPANOIC ACID, METHYL ESTER
NameALPHA,BETA-DIMETHYL-BENZENEPROPANOIC ACID, METHYL ESTER
1Identification
【Name】
ALPHA,BETA-DIMETHYL-BENZENEPROPANOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD22987440
【English Synonyms】
【Formula】
C12 H16 O2
【MolWeight】
192.256
【Inchi】
InChI=1S/C12H16O2/c1-9(10(2)12(13)14-3)11-7-5-4-6-8-11/h4-10H,1-3H3
【InChIKey】
InChIKey=RTBLGSDOURZOPN-UHFFFAOYSA-N
【SMILES】
CC(c1ccccc1)C(C)C(=O)OC
【MOL File】
ALPHA,BETA-DIMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALPHA,BETA-DIMETHYL-BENZENEPROPANOIC ACID, METHYL ESTER.cml