| CAS Number | 937650-39-0 |
| Catalog Number | AG01A0VG(AGN-PC-0WOA9J) |
| Chemical Name | 5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid |
| InChI | InChI=1S/C10H8N2O3/c13-9-7(6-4-2-1-3-5-6)8(10(14)15)11-12-9/h1-5,7H,(H,12,13)(H,14,15) |
| InChI Key | GPBFDQSZZHMUQB-UHFFFAOYSA-N |
| MDL Number | MFCD09035092 |
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.1821 |
| SMILES | OC(C1C(C2=CC=CC=C2)C(=O)NN=1)=O |
| Synonyms | 5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
937650-39-0,
BBL031210,
SBB079658,
STL252257,
AKOS000275842,
AKOS016041654,
NE57941,
BB 0241014,
5-oxo-4-phenyl-2-pyrazoline-3-carboxylic acid,
Z1431321922,
5-Oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-c arboxylic acid,
5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.185g/mol |
| Monoisotopic Mass | 204.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number