| CAS Number | 37442-55-0 |
| Catalog Number | AG01AD22(AGN-PC-0JKPUP) |
| Chemical Name | 1-phenylbut-3-en-2-one |
| IUPAC Name | 1-phenylbut-3-en-2-one |
| InChI | InChI=1S/C10H10O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-7H,1,8H2 |
| InChI Key | PTUXNCQDACBMKP-UHFFFAOYSA-N |
| MDL Number | MFCD02259844 |
| Molecular Formula | C10H10O |
| Molecular Weight | 146.1858 |
| SMILES | C=CC(CC1=CC=CC=C1)=O |
| Synonyms | 1-phenylbut-3-en-2-one,
1-PHENYL-3-BUTEN-2-ONE,
37442-55-0,
phenylbutenone,
Benzylvinyl ketone,
AC1L1YBZ,
phenyl-but-3-en-2-one,
1-phenyl-but-3-en-2-one,
4-phenyl-but-1-ene-3-one,
SCHEMBL669706,
SCHEMBL7874216,
DTXSID80190892,
PTUXNCQDACBMKP-UHFFFAOYSA-N,
ZINC2008082,
AKOS014915000,
NE54069,
CID37734,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number