| CAS Number | 82668-47-1 |
| Catalog Number | AG00VUJD(AGN-PC-0WBKQE) |
| Chemical Name | 2-(1-phenyl-1H-pyrazol-3-yl)acetic acid |
| IUPAC Name | 2-(1-phenylpyrazol-3-yl)acetic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)8-9-6-7-13(12-9)10-4-2-1-3-5-10/h1-7H,8H2,(H,14,15) |
| InChI Key | BCRUWDVVJMOSED-UHFFFAOYSA-N |
| MDL Number | MFCD17241440 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(CC1=NN(C2=CC=CC=C2)C=C1)=O |
| Synonyms | 2-(1-phenyl-1H-pyrazol-3-yl)acetic acid,
82668-47-1,
SCHEMBL15603510,
ZINC61641179,
AKOS012181509,
MCULE-1645381115,
NE51958,
|
| 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 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number