| CAS Number | 55320-96-2 |
| Catalog Number | AG00DSXJ(AGN-PC-0OC7R8) |
| Chemical Name | (E)-5-Phenylpent-2-enoic acid |
| IUPAC Name | 5-phenylpent-2-enoic acid |
| InChI | InChI=1S/C11H12O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2,(H,12,13) |
| InChI Key | IATNQCGERGDVDN-UHFFFAOYSA-N |
| MDL Number | MFCD18972297 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | C(C/C=C/C(=O)O)c1ccccc1 |
| Synonyms | 5-phenylpent-2-enoic acid,
55320-96-2,
(2E)-5-Phenylpent-2-enoic acid, E,
2-Pentenoic acid, 5-phenyl-, (E)-,
(E)-5-Phenyl-2-pentenoic acid,
CTK1F7015,
DTXSID40339563,
IATNQCGERGDVDN-UHFFFAOYSA-N,
2-Pentenoic acid, 5-phenyl-,
24271-22-5,
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| Complexity | 179 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number