| CAS Number | 35715-77-6 |
| Catalog Number | AG00CJAS(AGN-PC-00UXQ7) |
| Chemical Name | (1-Phenyl-1h-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(1-phenylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C11H10N2O2/c14-11(15)6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2,(H,14,15) |
| InChI Key | DIVVPUUKTDJSFN-UHFFFAOYSA-N |
| MDL Number | MFCD09040437 |
| Molecular Formula | C11H10N2O2 |
| Molecular Weight | 202.2093 |
| SMILES | OC(CC1=CN(C2=CC=CC=C2)N=C1)=O |
| Synonyms | (1-phenyl-1H-pyrazol-4-yl)acetic acid,
35715-77-6,
2-(1-phenyl-1H-pyrazol-4-yl)acetic acid,
AC1Q74ZW,
SCHEMBL3814933,
CTK1C1090,
DTXSID40585447,
ZINC8728650,
MFCD09040437,
1H-Pyrazole-4-aceticacid, 1-phenyl-,
AKOS009116129,
MCULE-8599286169,
NE14108,
BS-14011,
EN300-26868,
Z235338177,
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| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number