| CAS Number | 1007306-14-0 |
| Catalog Number | AG01ACZU(AGN-PC-0WO1W5) |
| Chemical Name | 1-Benzyl-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 1-benzylpyrazole-3-carboxylic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)10-6-7-13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15) |
| InChI Key | CZPRLVUTBZKCJG-UHFFFAOYSA-N |
| MDL Number | MFCD01647085 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | C1=CC=C(C=C1)CN2C=CC(=N2)C(=O)O |
| Synonyms | 1-benzyl-1H-pyrazole-3-carboxylic acid,
1007306-14-0,
SCHEMBL2485700,
MFCD01647085,
ZINC80050434,
AKOS013772000,
NE39232,
|
| 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 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number