| CAS Number | 1255718-13-8 |
| Catalog Number | AG00J12S |
| Chemical Name | 3-(1H-pyrazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-pyrazol-1-ylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c9-6(10)2-5-8-4-1-3-7-8;/h1,3-4H,2,5H2,(H,9,10);1H |
| InChI Key | YJNKXIAOMFBRCU-UHFFFAOYSA-N |
| MDL Number | MFCD13186028 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | N1(CCC(O)=O)C=CC=N1.Cl |
| Synonyms | 3-(1H-Pyrazol-1-yl)propanoic acid hydrochloride,
1255718-13-8,
SCHEMBL17337686,
ZX-CM002730,
MFCD13186028,
3-(1H-Pyrazol-1-yl)propanoic acid hydrochloride, AldrichCPR,
1-methylpiperidine-4-carboxylic acid,
89532-73-0,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number