| CAS Number | 26505-36-2 |
| Catalog Number | AG01ACZF(AGN-PC-0JTAGH) |
| Chemical Name | 3-(Pyridin-4-yl)prop-2-enal |
| IUPAC Name | (E)-3-pyridin-4-ylprop-2-enal |
| InChI | InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1+ |
| InChI Key | PEIRJCZXFPMXTI-OWOJBTEDSA-N |
| MDL Number | MFCD18384440 |
| Molecular Formula | C8H7NO |
| Molecular Weight | 133.1473 |
| SMILES | O=CC=CC1=CC=NC=C1 |
| Synonyms | 3-(pyridin-4-yl)prop-2-enal,
26505-36-2,
32986-66-6,
3-(4-pyridyl)propenal,
3-(4-Pyridyl)acrylaldehyde,
3-Pyridin-4-ylacrolein,
AC1NSXF3,
3-(pyridin-4-yl)-propenal,
SCHEMBL1308464,
(E)-3-(4-Pyridinyl)acrolein,
PEIRJCZXFPMXTI-OWOJBTEDSA-N,
(E)-3-pyridin-4-ylprop-2-enal,
ZINC33844970,
AKOS022341726,
NE45496,
(2E)-3-(4-Pyridinyl)-2-propenal #,
2-Propenal, 3-(4-pyridinyl)-, (2E)-,
(2E)-3-(4-Pyridinyl)-2-propenal,
CID5371936,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 133.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.15g/mol |
| Monoisotopic Mass | 133.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number