| Canonical Smiles | C=CC1=CC=CC=C1C=O |
|---|---|
| IUPAC Name | 2-ethenylbenzaldehyde |
| InChIKey | DHEJIZSVHGOKMJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O/c1-2-8-5-3-4-6-9(8)7-10/h2-7H,1H2 |
| Isomeric SMILES | C=CC1=CC=CC=C1C=O |
| Molecular Weight | 132.16 |
| Reaxy-Rn | 1924816 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924816&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Styrenes Benzaldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Styrene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Molecular Weight | 132.160 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 132.058 Da |
| Monoisotopic Mass | 132.058 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 129.000 |
| 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 |
