| CAS Number | 1146290-27-8 |
| Catalog Number | AG019V0D |
| Chemical Name | 4-(2-hydroxyethyl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 4-(2-hydroxyethyl)-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid |
| InChI | InChI=1S/C12H12N2O4/c15-7-6-9-10(12(17)18)13-14(11(9)16)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2,(H,17,18) |
| InChI Key | RECYHGJQIKPRDX-UHFFFAOYSA-N |
| MDL Number | MFCD11656478 |
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.2347 |
| SMILES | OCCC1C(C(O)=O)=NN(C2=CC=CC=C2)C1=O |
| Synonyms | 4-(2-hydroxyethyl)-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
1146290-27-8,
AC1Q7CKG,
CTK8A3689,
BBL036755,
SBB079660,
AKOS000276436,
AKOS016041705,
NE24493,
BB 0241019,
EN300-43377,
AO-022/43514615,
Z1270384397,
4-(2-hydroxyethyl)-5-oxo-1-phenyl-2-pyrazoline-3-carboxylic acid,
4-(2-Hydroxy-ethyl)-5-oxo-1-phenyl-4,5-dihyd ro-1H-pyrazole-3-carboxylic acid,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.238g/mol |
| Monoisotopic Mass | 248.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number