| CAS Number | 304693-68-3 |
| Catalog Number | AG01A1FS(AGN-PC-03GSAB) |
| Chemical Name | 1-(2-Methoxyethyl)-1H-pyrazole |
| IUPAC Name | 1-(2-methoxyethyl)pyrazole |
| InChI | InChI=1S/C6H10N2O/c1-9-6-5-8-4-2-3-7-8/h2-4H,5-6H2,1H3 |
| InChI Key | QDGMFMHIAQBDMJ-UHFFFAOYSA-N |
| MDL Number | MFCD18889154 |
| Molecular Formula | C6H10N2O |
| Molecular Weight | 126.1564 |
| SMILES | COCCN1N=CC=C1 |
| Synonyms | 1-(2-METHOXYETHYL)-1H-PYRAZOLE,
304693-68-3,
1-(2-methoxyethyl)pyrazole,
SCHEMBL3320765,
DTXSID80618925,
ZINC71614001,
AKOS013123566,
MCULE-1630278946,
NE16403,
A820392,
Z1271603162,
|
| Complexity | 77.5 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.159g/mol |
| Monoisotopic Mass | 126.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number