| CAS Number | 72430-57-0 |
| Catalog Number | AG018RX1(AGN-PC-0WBPYF) |
| Chemical Name | 1-[(oxiran-2-yl)methyl]-1H-pyrazole |
| IUPAC Name | 1-(oxiran-2-ylmethyl)pyrazole |
| InChI | InChI=1S/C6H8N2O/c1-2-7-8(3-1)4-6-5-9-6/h1-3,6H,4-5H2 |
| InChI Key | KNNLVTFDVNTISF-UHFFFAOYSA-N |
| MDL Number | MFCD09736429 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | C(N1N=CC=C1)C1OC1 |
| Synonyms | 1-(oxiran-2-ylmethyl)-1H-pyrazole,
72430-57-0,
AC1Q28NV,
1-oxiranylmethyl-1H-pyrazole,
SCHEMBL3773860,
CTK5J7540,
KNNLVTFDVNTISF-UHFFFAOYSA-N,
AKOS000144066,
AKOS022488520,
NE57903,
FT-0754664,
EN300-49492,
F8881-3980,
1-(2-oxiranylmethyl)-1H-Pyrazole,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number