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3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID - ≥95%, high purity , CAS No.38712-59-3

COA

Grade & Purity:

≥95%

Cas Number: 38712-59-3
Molecular Weight: 243.05
PubChem CID: 598758

In stock

Item Number

O698335

Grouped product items
SKU	Size	Availability	Price	Qty
O698335-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpyruvic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyruvic acid derivatives
Alternative Parents	Phenylpropanoic acids Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpyruvate - 3-phenylpropanoic-acid - Bromobenzene - Halobenzene - Alpha-keto acid - Aryl bromide - Aryl halide - Keto acid - Alpha-hydroxy ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
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	3-(4-bromophenyl)-2-oxopropanoic acid
INCHI	InChI=1S/C9H7BrO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey	YTWLYEKOUUEZEF-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC(=O)C(=O)O)Br
Isomeric SMILES	C1=CC(=CC=C1CC(=O)C(=O)O)Br
PubChem CID	598758
Molecular Weight	243.05

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.050 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	241.958 Da
Monoisotopic Mass	241.958 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207.000
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

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3-(4-BROMOPHENYL)-2-OXOPROPANOIC ACID - ≥95%, high purity , CAS No.38712-59-3

Basic Description