| CAS Number | 1380395-08-3 |
| Catalog Number | AG01BJKZ |
| Chemical Name | (2E)-3-(4-ethylphenyl)but-2-enoic acid |
| IUPAC Name | 3-(4-ethylphenyl)but-2-enoic acid |
| InChI | InChI=1S/C12H14O2/c1-3-10-4-6-11(7-5-10)9(2)8-12(13)14/h4-8H,3H2,1-2H3,(H,13,14) |
| InChI Key | ABUQIIJZQQBUMR-UHFFFAOYSA-N |
| MDL Number | MFCD09889416 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CCC1=CC=C(/C(/C)=C/C(O)=O)C=C1 |
| Synonyms | (2E)-3-(4-Ethylphenyl)but-2-enoic acid, E,
1380395-08-3,
AKOS030252968,
MCULE-8173227250,
Z1262237298,
3-(4-ethylphenyl)but-2-enoic acid,
1528-56-9,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number