| CAS Number | 6249-80-5 |
| Catalog Number | AG00F3EX(AGN-PC-0NEVTK) |
| Chemical Name | 1-Phenylbut-3-en-1-one |
| IUPAC Name | 1-phenylbut-3-en-1-one |
| InChI | InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-5,7-8H,1,6H2 |
| InChI Key | ZFYKDNCOQBBOST-UHFFFAOYSA-N |
| MDL Number | MFCD09868766 |
| Molecular Formula | C10H10O |
| Molecular Weight | 146.1858 |
| SMILES | C=CCC(C1=CC=CC=C1)=O |
| Synonyms | 1-phenylbut-3-en-1-one,
1-phenyl-3-buten-1-one,
6249-80-5,
vinylacetophenone,
1-phenyl-but-3-en-1-on,
4-Phenyl-1-butene-4-one,
1-phenyl-but-3-en-1-one,
SCHEMBL367640,
SCHEMBL10108202,
ZFYKDNCOQBBOST-UHFFFAOYSA-N,
AKOS010638224,
ZINC100637220,
MCULE-1566538587,
EN300-81656,
CID11039804,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.189g/mol |
| Monoisotopic Mass | 146.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number