| CAS Number | 104175-15-7 |
| Catalog Number | AG008XH4(AGN-PC-0OT034) |
| Chemical Name | 3-(4-Ethylphenyl)propanal |
| IUPAC Name | 3-(4-ethylphenyl)propanal |
| InChI | InChI=1S/C11H14O/c1-2-10-5-7-11(8-6-10)4-3-9-12/h5-9H,2-4H2,1H3 |
| InChI Key | PKMBYEGYTBWRIO-UHFFFAOYSA-N |
| MDL Number | MFCD09028621 |
| Molecular Formula | C11H14O |
| Molecular Weight | 162.2283 |
| SMILES | CCC1=CC=C(CCC=O)C=C1 |
| Synonyms | 3-(4-ethylphenyl)propanal,
104175-15-7,
Benzenepropanal,4-ethyl-,
3-(4-ETHYL-PHENYL)-PROPIONALDEHYDE,
ACMC-20m6yq,
SCHEMBL910428,
CTK4A2800,
DTXSID90591432,
PKMBYEGYTBWRIO-UHFFFAOYSA-N,
3-(4'-Ethylphenyl)propionaldehyde,
ZINC19682818,
AKOS010077098,
NE14064,
Benzenepropanal, 4-ethyl-,
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| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.232g/mol |
| Monoisotopic Mass | 162.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number