| CAS Number | 5703-57-1 |
| Catalog Number | AG01A320(AGN-PC-0SMUPC) |
| Chemical Name | 3-Phenylpent-4-enoic acid |
| IUPAC Name | 3-phenylpent-4-enoic acid |
| InChI | InChI=1S/C11H12O2/c1-2-9(8-11(12)13)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,12,13) |
| InChI Key | QENLDXDXWGMLMN-UHFFFAOYSA-N |
| MDL Number | MFCD20638263 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | C1(=CC=CC=C1)C(CC(=O)O)C=C |
| Synonyms | 3-phenylpent-4-enoic Acid,
3-phenyl-4-pentenoic acid,
5703-57-1,
3-phenyl-pent-4-enoic acid,
SCHEMBL3270768,
CTK9A0025,
QENLDXDXWGMLMN-UHFFFAOYSA-N,
AKOS022639421,
NE26728,
Z1891772467,
3(R,S)-phenyl-pent-4-enoic acid,
CID10821157,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number