| CAS Number | 15825-89-5 |
| Catalog Number | AG00B57J(AGN-PC-0NI4F9) |
| Chemical Name | 3-(1-Methylethenyl)pyridine |
| IUPAC Name | 3-prop-1-en-2-ylpyridine |
| InChI | InChI=1S/C8H9N/c1-7(2)8-4-3-5-9-6-8/h3-6H,1H2,2H3 |
| InChI Key | WWDWPSQOAUMNDT-UHFFFAOYSA-N |
| MDL Number | MFCD13175169 |
| Molecular Formula | C8H9N |
| Molecular Weight | 119.1638 |
| SMILES | C(=C)(C)c1cccnc1 |
| Synonyms | 3-(prop-1-en-2-yl)pyridine,
15825-89-5,
3-(1-methylethenyl)pyridine,
Pyridine, 3-(1-methylethenyl)-,
3-(1-METHYLETHENYL)-PYRIDINE,
SCHEMBL609057,
DTXSID00480964,
WWDWPSQOAUMNDT-UHFFFAOYSA-N,
ZINC72230765,
AKOS013992397,
NE54560,
F1967-3031,
3-isopropenylpyridine,
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| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 119.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 119.167g/mol |
| Monoisotopic Mass | 119.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number