| CAS Number | 952958-67-7 |
| Catalog Number | AG00IIXE |
| Chemical Name | 1-(m-Tolyl)-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 1-(3-methylphenyl)imidazole-4-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c1-8-3-2-4-9(5-8)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15) |
| InChI Key | HTJYLYCUSXCALJ-UHFFFAOYSA-N |
| MDL Number | MFCD08752950 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | CC1=CC(N2C=C(C(O)=O)N=C2)=CC=C1 |
| Synonyms | 1-(3-methylphenyl)-1H-imidazole-4-carboxylic acid,
952958-67-7,
1-(m-Tolyl)-1H-imidazole-4-carboxylic acid,
SCHEMBL12191233,
KUC107419N,
BBL021833,
MFCD08752950,
STK894550,
ZINC12404849,
AKOS005144162,
KSC-20-089,
MCULE-8114386048,
H8515,
1-m-Tolyl-1H-imidazole-4-carboxylic acid,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.213g/mol |
| Monoisotopic Mass | 202.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number