| Canonical Smiles | C=C(CCCC(=O)O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | 5-phenylhex-5-enoic acid |
| InChIKey | UMQJUDUEGUJOHR-UHFFFAOYSA-N |
| INCHI | 1S/C12H14O2/c1-10(6-5-9-12(13)14)11-7-3-2-4-8-11/h2-4,7-8H,1,5-6,9H2,(H,13,14) |
| Molecular Weight | 190.24 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Styrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Styrenes |
| Alternative Parents | Medium-chain fatty acids Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Medium-chain fatty acid - Styrene - Fatty acyl - Fatty acid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 190.240 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 190.099 Da |
| Monoisotopic Mass | 190.099 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
