| CAS Number | 1007489-05-5 |
| Catalog Number | AG00H9BD(AGN-PC-0WBC9Z) |
| Chemical Name | (1-ethyl-1H-pyrazol-3-yl)methanol |
| IUPAC Name | (1-ethylpyrazol-3-yl)methanol |
| InChI | InChI=1S/C6H10N2O/c1-2-8-4-3-6(5-9)7-8/h3-4,9H,2,5H2,1H3 |
| InChI Key | ANWZXIXYZAZLPB-UHFFFAOYSA-N |
| MDL Number | MFCD08701107 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | CCN1N=C(CO)C=C1 |
| Synonyms | (1-ethyl-1H-pyrazol-3-yl)methanol,
1007489-05-5,
(1-ethylpyrazol-3-yl)methan-1-ol,
1-ethyl-1H-Pyrazole-3-methanol,
SCHEMBL859959,
ANWZXIXYZAZLPB-UHFFFAOYSA-N,
ALBB-030523,
MFCD08701107,
SBB025856,
STK352785,
ZINC12398019,
AKOS003673640,
MCULE-9595783127,
ST45134731,
|
| 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 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number