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3-(4-Nitrophenyl)-2-oxopropanoic acid - ≥97%, high purity , CAS No.38335-24-9

COA

Grade & Purity:

≥97%

Cas Number: 38335-24-9
Molecular Weight: 209.16
PubChem CID: 231892

In stock

Item Number

O696593

Grouped product items
SKU	Size	Availability	Price
O696593-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
O696593-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90
O696593-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$258.90
O696593-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$905.90

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 Nitrobenzenes Nitroaromatic compounds Alpha-keto acids and derivatives Alpha-hydroxy ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpyruvate - 3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Alpha-keto acid - Keto acid - Alpha-hydroxy ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - 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-nitrophenyl)-2-oxopropanoic acid
INCHI	InChI=1S/C9H7NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4H,5H2,(H,12,13)
InChIKey	CIGYFQSAFKLMAL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC(=O)C(=O)O)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=CC=C1CC(=O)C(=O)O)[N+](=O)[O-]
PubChem CID	231892
Molecular Weight	209.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	209.160 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	209.032 Da
Monoisotopic Mass	209.032 Da
Topological Polar Surface Area	100.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	275.000
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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