| CAS Number | 1152495-65-2 |
| Catalog Number | AG01AI6X(AGN-PC-0WP0BI) |
| Chemical Name | 2-oxo-2-(1-phenyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-oxo-2-(1-phenylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C11H8N2O3/c14-10(11(15)16)8-6-12-13(7-8)9-4-2-1-3-5-9/h1-7H,(H,15,16) |
| InChI Key | PIXYCNJJZPLCTN-UHFFFAOYSA-N |
| MDL Number | MFCD11179625 |
| Molecular Formula | C11H8N2O3 |
| Molecular Weight | 216.1928 |
| SMILES | OC(C(C1=CN(C2=CC=CC=C2)N=C1)=O)=O |
| Synonyms | 2-oxo-2-(1-phenyl-1H-pyrazol-4-yl)acetic acid,
1152495-65-2,
ZINC36893446,
AKOS009312631,
MCULE-3230150062,
NE40728,
EN300-76862,
Z1259339924,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.196g/mol |
| Monoisotopic Mass | 216.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number