| CAS Number | 1240527-97-2 |
| Catalog Number | AG01A8US |
| Chemical Name | 5-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 3-acetyl-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid |
| InChI | InChI=1S/C12H12N2O3/c1-8(15)11-7-10(12(16)17)13-14(11)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H,16,17) |
| InChI Key | ABTIPMDRAIMXRS-UHFFFAOYSA-N |
| MDL Number | MFCD16547562 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CC(C1N(C2=CC=CC=C2)N=C(C(O)=O)C1)=O |
| Synonyms | 5-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
1240527-97-2,
AC1Q1K0R,
AKOS033048225,
MCULE-5809135133,
NE34078,
EN300-62621,
Z1101435054,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number