| CAS Number | 676372-30-8 |
| Catalog Number | AG00649R(AGN-PC-0MTXQD) |
| Chemical Name | 1H-Imidazole-4-carboxylic acid, 1-(phenylmethyl)- |
| IUPAC Name | 1-benzylimidazole-4-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)10-7-13(8-12-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,14,15) |
| InChI Key | KFKAUFNAOVFMPB-UHFFFAOYSA-N |
| MDL Number | MFCD07376016 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(=O)c1ncn(c1)Cc1ccccc1 |
| Synonyms | 1-Benzyl-1H-imidazole-4-carboxylic acid,
676372-30-8,
1H-Imidazole-4-carboxylic acid, 1-(phenylmethyl)-,
1-benzylimidazole-4-carboxylic Acid,
SCHEMBL3688462,
CTK1H7102,
DTXSID40431051,
KS-000023IC,
n-benzylimidazole-5-carboxylic acid,
MFCD07376016,
ZINC33966328,
AKOS022538341,
BS-3636,
F1907-1354,
CID9813082,
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| Complexity | 227 |
| 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 | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number