| CAS Number | 59292-48-7 |
| Catalog Number | AG00ELBP(AGN-PC-0OCVT8) |
| Chemical Name | 3-Ethoxy-1H-pyrazole |
| IUPAC Name | 5-ethoxy-1H-pyrazole |
| InChI | InChI=1S/C5H8N2O/c1-2-8-5-3-4-6-7-5/h3-4H,2H2,1H3,(H,6,7) |
| InChI Key | FERCPYFXAPMDOI-UHFFFAOYSA-N |
| MDL Number | MFCD22052967 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CCOC1=CC=NN1 |
| Synonyms | 3-ethoxy-1h-pyrazole,
59292-48-7,
1H-Pyrazole, 3-ethoxy-,
ethoxypyrazole,
SCHEMBL2050241,
ZINC59504369,
AKOS033848810,
Z2284432248,
|
| Complexity | 67.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number