537712-98-4
2-(4-METHYLPHENYL)-5-METHYLBENZOIC ACID
Name2-(4-METHYLPHENYL)-5-METHYLBENZOIC ACID
1Identification
【Name】
2-(4-METHYLPHENYL)-5-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD18318953
【English Synonyms】
【Formula】
C15 H14 O2
【MolWeight】
226.274
【Inchi】
InChI=1S/C15H14O2/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14(13)15(16)17/h3-9H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=XQGAYWVPAVKFBR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2ccc(cc2C(=O)O)C
【MOL File】
2-(4-METHYLPHENYL)-5….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
2-(4-METHYLPHENYL)-5-METHYLBENZOIC ACID.cml