| CAS Number | 932917-50-5 |
| Catalog Number | AG00JDB5(AGN-PC-0WC0N9) |
| Chemical Name | 4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid |
| IUPAC Name | 4-methoxy-3-[(2-methylimidazol-1-yl)methyl]benzoic acid |
| InChI | InChI=1S/C13H14N2O3/c1-9-14-5-6-15(9)8-11-7-10(13(16)17)3-4-12(11)18-2/h3-7H,8H2,1-2H3,(H,16,17) |
| InChI Key | WNWFPAXZDVPPMN-UHFFFAOYSA-N |
| MDL Number | MFCD10485454 |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.2619 |
| SMILES | O(C)C1C=CC(C(O)=O)=CC=1CN1C=CN=C1C |
| Synonyms | 932917-50-5,
4-METHOXY-3-[(2-METHYL-1H-IMIDAZOL-1-YL)METHYL]-BENZOIC ACID,
4-methoxy-3-[(2-methyl-1H-imidazol-1-yl)methyl]benzoic acid,
4-Methoxy-3-((2-methyl-1H-imidazol-1-yl)methyl)benzoic acid,
CTK7A6203,
ALBB-004509,
ZX-AN004471,
MFCD10485454,
STK503200,
ZINC24547999,
AKOS002657459,
IMED906245867,
TR-058270,
Z-1808,
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]benzoic acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.266g/mol |
| Monoisotopic Mass | 246.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number