| CAS Number | 17713-58-5 |
| Catalog Number | AG00254K(AGN-PC-0NHN25) |
| Chemical Name | 1-(4-Pentylphenyl)propan-1-one |
| IUPAC Name | 1-(4-pentylphenyl)propan-1-one |
| InChI | InChI=1S/C14H20O/c1-3-5-6-7-12-8-10-13(11-9-12)14(15)4-2/h8-11H,3-7H2,1-2H3 |
| InChI Key | GQKXWKNBTSSVEL-UHFFFAOYSA-N |
| MDL Number | MFCD09373405 |
| Molecular Formula | C14H20O |
| Molecular Weight | 204.3080 |
| SMILES | CCCCCC1=CC=C(C(CC)=O)C=C1 |
| Synonyms | 1-(4-pentylphenyl)propan-1-one,
17713-58-5,
4'-Pentylpropiophenone,
AC1Q2VQH,
SCHEMBL7137148,
CTK4D6414,
DTXSID00476544,
1-Propanone,1-(4-pentylphenyl)-,
1-Propanone, 1-(4-pentylphenyl)-,
ZINC12505498,
AKOS000118028,
MCULE-1426544177,
NE19130,
NCGC00326724-01,
EN300-27405,
AB01320776-02,
Z240127550,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.313g/mol |
| Monoisotopic Mass | 204.151g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number