| CAS Number | 68857-86-3 |
| Catalog Number | AG00FPF2(AGN-PC-00N416) |
| Chemical Name | 1-(4-ETHYL-PHENYL)-2-METHYL-PROPAN-1-ONE |
| IUPAC Name | 1-(4-ethylphenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C12H16O/c1-4-10-5-7-11(8-6-10)12(13)9(2)3/h5-9H,4H2,1-3H3 |
| InChI Key | UFZXPKYGNCVADM-UHFFFAOYSA-N |
| MDL Number | MFCD08457175 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.2548 |
| SMILES | C(C)C1=CC=C(C=C1)C(C(C)C)=O |
| Synonyms | 1-(4-ethylphenyl)-2-methylpropan-1-one,
68857-86-3,
AC1Q2TDW,
p-ethylphenyl isopropyl ketone,
SCHEMBL3129690,
UFZXPKYGNCVADM-UHFFFAOYSA-N,
4'-Ethyl-alpha-methylpropiophenone,
ZINC11631526,
AKOS000346275,
MCULE-7361357379,
NE26272,
EN300-65607,
1-(4-ETHYL-PHENYL)-2-METHYL-PROPAN-1-ONE,
Z1258948224,
1-(4-Ethylphenyl)-2-methyl-1-propanone,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.259g/mol |
| Monoisotopic Mass | 176.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number