| CAS Number | 1177331-09-7 |
| Catalog Number | AG00J1P2(AGN-PC-0WB3U4) |
| Chemical Name | 1-(1-Methyl-1H-pyrazol-5-yl)propan-1-one |
| IUPAC Name | 1-(2-methylpyrazol-3-yl)propan-1-one |
| InChI | InChI=1S/C7H10N2O/c1-3-7(10)6-4-5-8-9(6)2/h4-5H,3H2,1-2H3 |
| InChI Key | VEIKYWKMARNCDH-UHFFFAOYSA-N |
| MDL Number | MFCD09864440 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | C1(C(CC)=O)=CC=NN1C |
| Synonyms | 1-(1-methyl-1H-pyrazol-5-yl)propan-1-one,
1177331-09-7,
1-(1-METHYL-1H-PYRAZOL-5-YL)-1-PROPANONE,
SCHEMBL2632661,
MFCD09864440,
ZINC19091495,
AKOS013153825,
SC-32726,
Y-5792,
1-(1-Methyl-1H-pyrazol-5-yl)propan-1-one, AldrichCPR,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number