Determine the necessary mass, volume, or concentration for preparing a solution.
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
| Sonrisas canónicas | CC(C)(C)C1=CC=C(C=C1)/C=C/C=O |
|---|---|
| IUPAC Name | (E)-3-(4-tert-butylphenyl)prop-2-enal |
| InChIKey | ICSATJUWLAEQQU-SNAWJCMRSA-N |
| INCHI | 1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+ |
| Peso molecular | 188.260 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Cinnamaldehydes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamaldehydes |
| Alternative Parents | Phenylpropanes Styrenes Enals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cinnamaldehyde - Phenylpropane - Styrene - Benzenoid - Monocyclic benzene moiety - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. |
| External Descriptors | Not available |
| Peso molecular | 188.260 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 188.12 Da |
| Monoisotopic Mass | 188.12 Da |
| Topological Polar Surface Area | 17.100 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |