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(E)-3-(o-tolyl)acrylaldehyde - ≥98%, high purity , CAS No.93614-78-9

COA

Grade & Purity:

≥98%

Cas Number: 93614-78-9
Molecular Weight: 146.19
PubChem CID: 10931572

In stock

Item Number

A692658

Grouped product items
SKU	Size	Availability	Price
A692658-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$85.90
A692658-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$381.90
A692658-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,148.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Cinnamaldehydes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Cinnamaldehydes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Cinnamaldehydes
Alternative Parents	Styrenes Toluenes Enals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Cinnamaldehyde - Styrene - Toluene - Benzenoid - Monocyclic benzene moiety - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(E)-3-(2-methylphenyl)prop-2-enal
INCHI	InChI=1S/C10H10O/c1-9-5-2-3-6-10(9)7-4-8-11/h2-8H,1H3/b7-4+
InChIKey	ZAUAFFKABKNGKX-QPJJXVBHSA-N
Smiles	CC1=CC=CC=C1C=CC=O
Isomeric SMILES	CC1=CC=CC=C1/C=C/C=O
PubChem CID	10931572
Molecular Weight	146.19

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	146.190 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	146.073 Da
Monoisotopic Mass	146.073 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149.000
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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(E)-3-(o-tolyl)acrylaldehyde - ≥98%, high purity , CAS No.93614-78-9

Basic Description