| CAS Number | 1781790-58-6 |
| Catalog Number | AG01DYWO |
| Chemical Name | 2-(1-Benzyl-1H-pyrazol-4-yl)acetic acid |
| IUPAC Name | 2-(1-benzylpyrazol-4-yl)acetic acid |
| InChI | InChI=1S/C12H12N2O2/c15-12(16)6-11-7-13-14(9-11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H,15,16) |
| InChI Key | PEADHPPLQIYZAF-UHFFFAOYSA-N |
| MDL Number | MFCD28135421 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | C(C1=CC=CC=C1)N1N=CC(=C1)CC(=O)O |
| Synonyms | 2-(1-benzyl-1h-pyrazol-4-yl)acetic acid,
1781790-58-6,
SCHEMBL4349419,
AKOS023637839,
AS-49886,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number