| CAS Number | 40534-35-8 |
| Catalog Number | AG01A0E8(AGN-PC-03G8ZF) |
| Chemical Name | 4-ethenyl-1-methyl-1H-pyrazole |
| IUPAC Name | 4-ethenyl-1-methylpyrazole |
| InChI | InChI=1S/C6H8N2/c1-3-6-4-7-8(2)5-6/h3-5H,1H2,2H3 |
| InChI Key | NRUZFGSVBJNUEO-UHFFFAOYSA-N |
| MDL Number | MFCD20384539 |
| Molecular Formula | C6H8N2 |
| Molecular Weight | 108.1411 |
| SMILES | CN1N=CC(C=C)=C1 |
| Synonyms | 4-ethenyl-1-methyl-1H-pyrazole,
1-methyl-4-vinyl-1H-pyrazole,
40534-35-8,
SCHEMBL9889435,
ZINC78210722,
AKOS013991241,
MCULE-5112014066,
NE52667,
DA-42506,
CS-0058336,
FT-0724823,
F2147-6875,
Z1431919935,
|
| Complexity | 90.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.144g/mol |
| Monoisotopic Mass | 108.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number