209539-12-8
5-METHYL-2-(2-METHYLPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Name5-METHYL-2-(2-METHYLPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-2-(2-METHYLPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11521560
【English Synonyms】
【Formula】
C12 H12 N2 O2
【MolWeight】
216.239
【Inchi】
InChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)11-13-8(2)10(14-11)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
【InChIKey】
InChIKey=BIGBZQKMMCACMM-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1c2[nH]c(c(n2)C)C(=O)O
【MOL File】
5-METHYL-2-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(2-METHYLPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID.cml