55683-10-8
3-(3,4-DIMETHYLPHENYL)-3-METHYLBUTANOIC ACID
Name3-(3,4-DIMETHYLPHENYL)-3-METHYLBUTANOIC ACID
1Identification
【Name】
3-(3,4-DIMETHYLPHENYL)-3-METHYLBUTANOIC ACID
【CAS】
【MDL】
MFCD00796489
【English Synonyms】
【Formula】
C13 H18 O2
【MolWeight】
206.283
【Inchi】
InChI=1S/C13H18O2/c1-9-5-6-11(7-10(9)2)13(3,4)8-12(14)15/h5-7H,8H2,1-4H3,(H,14,15)
【InChIKey】
InChIKey=ANHPVVIHUBMCFU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)C(C)(C)CC(=O)O
【MOL File】
3-(3,4-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIMETHYLPHENYL)-3-METHYLBUTANOIC ACID.cml