| CAS Number | 57527-92-1 |
| Catalog Number | AG01AICM(AGN-PC-0WOS5D) |
| Chemical Name | 1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol |
| IUPAC Name | 1-(2-methylpyrazol-3-yl)ethanol |
| InChI | InChI=1S/C6H10N2O/c1-5(9)6-3-4-7-8(6)2/h3-5,9H,1-2H3 |
| InChI Key | FAIGDGUZDCESQB-UHFFFAOYSA-N |
| MDL Number | MFCD19620540 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CC(C1N(C)N=CC=1)O |
| Synonyms | 1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol,
57527-92-1,
1-(2-methyl-2H-pyrazol-3-yl)-ethanol,
SCHEMBL15200529,
AKOS013276831,
|
| Complexity | 97.1 |
| 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 | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number