| CAS Number | 177940-19-1 |
| Catalog Number | AG01B509(AGN-PC-03R7SX) |
| Chemical Name | 2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol |
| IUPAC Name | 2-(1-methylpyrazol-3-yl)ethanol |
| InChI | InChI=1S/C6H10N2O/c1-8-4-2-6(7-8)3-5-9/h2,4,9H,3,5H2,1H3 |
| InChI Key | UZCBREWTHAFSBZ-UHFFFAOYSA-N |
| MDL Number | MFCD02853712 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CN1N=C(CCO)C=C1 |
| Synonyms | 2-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol,
177940-19-1,
1H-Pyrazole-3-ethanol, 1-methyl-,
SCHEMBL2629292,
ZINC84283746,
AKOS023405333,
FT-0746569,
Z2509351284,
1-methyl-1H-Pyrazole-3-ethanol,
|
| Complexity | 87.1 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number