| CAS Number | 1315367-26-0 |
| Catalog Number | AG018SAI(AGN-PC-0WBPUT) |
| Chemical Name | 2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate |
| IUPAC Name | 2-(4-formylpyrazol-1-yl)ethyl acetate |
| InChI | InChI=1S/C8H10N2O3/c1-7(12)13-3-2-10-5-8(6-11)4-9-10/h4-6H,2-3H2,1H3 |
| InChI Key | GJNWFGFRZMKZAQ-UHFFFAOYSA-N |
| MDL Number | MFCD19381867 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC(OCCN1N=CC(C=O)=C1)=O |
| Synonyms | 2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate,
1315367-26-0,
ZINC68591601,
AKOS026676650,
NE16492,
2-(4-formyl-1h-pyrazol-1-yl)-ethyl acetate,
EN300-77138,
F8889-4917,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number