| CAS Number | 39077-59-3 |
| Catalog Number | AG00D3YV(AGN-PC-0O9RM6) |
| Chemical Name | (2E)-3-(2-pyridinyl)-2-Propenenitrile |
| IUPAC Name | (E)-3-pyridin-2-ylprop-2-enenitrile |
| InChI | InChI=1S/C8H6N2/c9-6-3-5-8-4-1-2-7-10-8/h1-5,7H/b5-3+ |
| InChI Key | ZIMQURWVGPGVMM-HWKANZROSA-N |
| MDL Number | MFCD16083058 |
| Molecular Formula | C8H6N2 |
| Molecular Weight | 130.1466 |
| SMILES | N1=C(C=CC=C1)/C=C/C#N |
| Synonyms | (E)-3-(2-Pyridyl)acrylonitrile,
3-(pyridin-2-yl)prop-2-enenitrile,
100949-40-4,
SCHEMBL2949808,
ZIMQURWVGPGVMM-HWKANZROSA-N,
(E)-3-(pyridin-2-yl)acrylonitrile,
ZINC34539707,
NE22799,
2-Propenenitrile,3- -, -,
(E)-3-pyridin-2-ylprop-2-enenitrile,
CID10866363,
2-Propenenitrile, 3-(2-pyridinyl)-, (2E)- (9CI),
39077-59-3,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 130.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.15g/mol |
| Monoisotopic Mass | 130.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number