| CAS Number | 1174309-53-5 |
| Catalog Number | AG0099L6(AGN-PC-0WB3KK) |
| Chemical Name | 3-(1H-Pyrazol-4-yl)propanoic acid |
| IUPAC Name | 3-(1H-pyrazol-4-yl)propanoic acid |
| InChI | InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)(H,9,10) |
| InChI Key | YOFXFEFEHOILIF-UHFFFAOYSA-N |
| MDL Number | MFCD09864329 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | C(CC(=O)O)C1=CNN=C1 |
| Synonyms | 3-(1H-Pyrazol-4-yl)propanoic acid,
1174309-53-5,
1H-Pyrazole-4-propanoic acid,
1H-Pyrazole-4-propanoicacid,
4-carboxyethyl pyrazole,
SCHEMBL509534,
DTXSID50625525,
MFCD09864329,
ZINC19090129,
AKOS006283505,
AJ-71352,
AS-39572,
DA-15044,
AB1008805,
FT-0687726,
Y-5721,
F2198-2672,
1-[5-(2-furyl)-3-isoxazolyl]methanamine,
1909312-08-8,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number