| CAS Number | 23585-56-0 |
| Catalog Number | AG01BC7P |
| Chemical Name | 2-(1H-Pyrazol-4-yl)propan-2-ol |
| IUPAC Name | 2-(1H-pyrazol-4-yl)propan-2-ol |
| InChI | InChI=1S/C6H10N2O/c1-6(2,9)5-3-7-8-4-5/h3-4,9H,1-2H3,(H,7,8) |
| InChI Key | WSDTUPAQKMRTFT-UHFFFAOYSA-N |
| MDL Number | MFCD26679904 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | N1N=CC(=C1)C(C)(C)O |
| Synonyms | 2-(1H-Pyrazol-4-yl)propan-2-ol,
23585-56-0,
SCHEMBL15298145,
ZINC75845877,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number