282727-27-9
4-(2,3-DIMETHYLPHENYL)BENZOIC ACID
Name4-(2,3-DIMETHYLPHENYL)BENZOIC ACID
1Identification
【Name】
4-(2,3-DIMETHYLPHENYL)BENZOIC ACID
【CAS】
【MDL】
MFCD17989624
【English Synonyms】
【Formula】
C15 H14 O2
【MolWeight】
226.274
【Inchi】
InChI=1S/C15H14O2/c1-10-4-3-5-14(11(10)2)12-6-8-13(9-7-12)15(16)17/h3-9H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=CNOZOASONVHTNK-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1C)c2ccc(cc2)C(=O)O
【MOL File】
4-(2,3-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
4-(2,3-DIMETHYLPHENYL)BENZOIC ACID.cml