| CAS Number | 864723-38-6 |
| Catalog Number | AG004QPQ(AGN-PC-05RVHV) |
| Chemical Name | 1-Vinyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-ethenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C6H6N2O/c1-2-8-4-6(5-9)3-7-8/h2-5H,1H2 |
| InChI Key | PRSLZFDVLMBABM-UHFFFAOYSA-N |
| MDL Number | MFCD12198430 |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.1246 |
| SMILES | N1=CC(=CN1C=C)C=O |
| Synonyms | 1-VINYL-1H-PYRAZOLE-4-CARBALDEHYDE,
864723-38-6,
1-Ethenyl-1H-pyrazole-4-carbaldehyde,
1-vinyl-4-formylpyrazole,
SCHEMBL4758908,
CTK5F6776,
DTXSID60653233,
PRSLZFDVLMBABM-UHFFFAOYSA-N,
4744AH,
MFCD12198430,
ZINC29865920,
AKOS006345069,
AJ-83814,
1H-Pyrazole-4-carboxaldehyde, 1-ethenyl-,
Y-7122,
C6H6N2O,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.127g/mol |
| Monoisotopic Mass | 122.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number