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2-Oxo-4-phenylbut-3-enoic acid - ≥95%, high purity , CAS No.17451-19-3

COA

Grade & Purity:

≥95%

Cas Number: 17451-19-3
Molecular Weight: 176.17
PubChem CID: 5356206

In stock

Item Number

O709688

Grouped product items
SKU	Size	Availability	Price
O709688-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$237.90
O709688-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90
O709688-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$990.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Styrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Styrenes
Intermediate Tree Nodes	Not available
Direct Parent	Styrenes
Alternative Parents	Alpha-keto acids and derivatives Enones Alpha-hydroxy ketones Acryloyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Styrene - Alpha-keto acid - Keto acid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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
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)-2-oxo-4-phenylbut-3-enoic acid
INCHI	InChI=1S/C10H8O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+
InChIKey	YQOUMBVFEWZLME-VOTSOKGWSA-N
Smiles	C1=CC=C(C=C1)C=CC(=O)C(=O)O
Isomeric SMILES	C1=CC=C(C=C1)/C=C/C(=O)C(=O)O
PubChem CID	5356206
Molecular Weight	176.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.170 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	176.047 Da
Monoisotopic Mass	176.047 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	224.000
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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2-Oxo-4-phenylbut-3-enoic acid - ≥95%, high purity , CAS No.17451-19-3

Basic Description