| CAS Number | 87581-64-4 |
| Catalog Number | AG019XUE(AGN-PC-0WO1P7) |
| Chemical Name | 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid |
| IUPAC Name | 2-phenyl-2-pyrazol-1-ylacetic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)10(13-8-4-7-12-13)9-5-2-1-3-6-9/h1-8,10H,(H,14,15) |
| InChI Key | AMAPMVWSJNXHCG-UHFFFAOYSA-N |
| MDL Number | MFCD00956850 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(C(N1N=CC=C1)C1=CC=CC=C1)=O |
| Synonyms | 2-phenyl-2-(1H-pyrazol-1-yl)acetic acid,
87581-64-4,
alpha-(1-pyrazolyl)phenylacetic acid,
AC1Q71S3,
SCHEMBL5134511,
CTK7I4725,
AKOS000166083,
AKOS022478068,
EN300-56070,
Z1171978850,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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