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2-Hydroxycinnamaldehyde - 98%, high purity , CAS No.3541-42-2
Basic Description
Synonyms
SCHEMBL197452 | o-Hydroxy-trans-cinnamaldehyde | 2-Propenal, 3-(2-hydroxyphenyl)-, (2E)- | 7U1EE4V452 | NSC 114588 | U 7524 | Cinnamaldehyde, o-hydroxy- | Kyselina mravenci | (E)-3-(2-hydroxyphenyl)acrylaldehyde | (E)-3-(2-hydroxyphenyl)-acrylaldehyde | 3
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamaldehydes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamaldehydes
Alternative Parents
Styrenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamaldehyde - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - Aldehyde - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488195334
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488195334
IUPAC Name
(E)-3-(2-hydroxyphenyl)prop-2-enal
INCHI
InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
InChIKey
BSDNZCQPDVTDET-HWKANZROSA-N
Smiles
C1=CC=C(C(=C1)C=CC=O)O
Isomeric SMILES
C1=CC=C(C(=C1)/C=C/C=O)O
RTECS
GD6565000
Molecular Weight
148.16
Reaxy-Rn
2324946
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324946&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Melt Point(°C)
126 °C
Molecular Weight
148.160 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
148.052 Da
Monoisotopic Mass
148.052 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
152.000
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
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D2318807