51719-67-6
(3,4,5-TRIMETHYL-PHENYL)-ACETIC ACID
Name(3,4,5-TRIMETHYL-PHENYL)-ACETIC ACID
1Identification
【Name】
(3,4,5-TRIMETHYL-PHENYL)-ACETIC ACID
【CAS】
【MDL】
MFCD17019474
【English Synonyms】
【Formula】
C11 H14 O2
【MolWeight】
178.23
【Inchi】
InChI=1S/C11H14O2/c1-7-4-10(6-11(12)13)5-8(2)9(7)3/h4-5H,6H2,1-3H3,(H,12,13)
【InChIKey】
InChIKey=VSSHUPHLEXRDDT-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1C)C)CC(=O)O
【MOL File】
(3,4,5-TRIMETHYL-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3,4,5-TRIMETHYL-PHENYL)-ACETIC ACID.cml