| CAS Number | 95759-33-4 |
| Catalog Number | AG01A36R(AGN-PC-0OO7LN) |
| Chemical Name | 4-(3-oxoprop-1-en-1-yl)benzonitrile |
| IUPAC Name | 4-(3-oxoprop-1-enyl)benzonitrile |
| InChI | InChI=1S/C10H7NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h1-7H |
| InChI Key | RYMCARXOHQPZAX-UHFFFAOYSA-N |
| MDL Number | MFCD07772898 |
| Molecular Formula | C10H7NO |
| Molecular Weight | 157.1687 |
| SMILES | O=CC=Cc1ccc(cc1)C#N |
| Synonyms | 4-(3-oxoprop-1-en-1-yl)benzonitrile,
4-cyanocinnamaldehyde,
p-cyanocinnamaldehyde,
3-(4-cyano-phenyl)acrolein,
RYMCARXOHQPZAX-UHFFFAOYSA-N,
AKOS017518229,
FT-0774088,
95759-33-4,
4-(3-oxo-1-propen-1-yl)Benzonitrile,
41917-85-5,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.172g/mol |
| Monoisotopic Mass | 157.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number