93748-16-4
2-(3,5-DIMETHYLPHENYL)-2-METHYLPROPANOIC ACID
Name2-(3,5-DIMETHYLPHENYL)-2-METHYLPROPANOIC ACID
1Identification
【Name】
2-(3,5-DIMETHYLPHENYL)-2-METHYLPROPANOIC ACID
【CAS】
【MDL】
MFCD11036958
【English Synonyms】
【Formula】
C12 H16 O2
【MolWeight】
192.256
【Inchi】
InChI=1S/C12H16O2/c1-8-5-9(2)7-10(6-8)12(3,4)11(13)14/h5-7H,1-4H3,(H,13,14)
【InChIKey】
InChIKey=LVVQVXGAJIMIHR-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)C(C)(C)C(=O)O)C
【MOL File】
2-(3,5-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,5-DIMETHYLPHENYL)-2-METHYLPROPANOIC ACID.cml