| CAS Number | 37599-33-0 |
| Catalog Number | AG01DZA8(AGN-PC-0WOMUL) |
| Chemical Name | 3-(Methoxymethyl)-1H-Pyrazole |
| IUPAC Name | 5-(methoxymethyl)-1H-pyrazole |
| InChI | InChI=1S/C5H8N2O/c1-8-4-5-2-3-6-7-5/h2-3H,4H2,1H3,(H,6,7) |
| InChI Key | BTFRKRYIPLNIEG-UHFFFAOYSA-N |
| MDL Number | MFCD20231592 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | COCC1=NNC=C1 |
| Synonyms | 3-(methoxymethyl)-1H-pyrazole,
37599-33-0,
SCHEMBL2633392,
BTFRKRYIPLNIEG-UHFFFAOYSA-N,
ZINC34742967,
AKOS015357902,
|
| 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 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number