| CAS Number | 1006440-24-9 |
| Catalog Number | AG00JEYF(AGN-PC-0WBATF) |
| Chemical Name | 3-(1-Methyl-1h-pyrazol-3-yl)propanoic acid |
| IUPAC Name | 3-(1-methylpyrazol-3-yl)propanoic acid |
| InChI | InChI=1S/C7H10N2O2/c1-9-5-4-6(8-9)2-3-7(10)11/h4-5H,2-3H2,1H3,(H,10,11) |
| InChI Key | PPFKNQWVFHTYMV-UHFFFAOYSA-N |
| MDL Number | MFCD06808504 |
| Molecular Formula | C7H10N2O2 |
| Molecular Weight | 154.1665 |
| SMILES | CN1N=C(C=C1)CCC(=O)O |
| Synonyms | 3-(1-methyl-1H-pyrazol-3-yl)propanoic acid,
1006440-24-9,
3-(1-methylpyrazol-3-yl)propanoic acid,
SCHEMBL2629336,
CTK6I2461,
BBL100237,
MFCD06808504,
SBB023250,
STK347035,
ZINC12351589,
AKOS000312746,
MCULE-8327068965,
ST45127915,
EN300-92790,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.169g/mol |
| Monoisotopic Mass | 154.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number