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N-(4-(2，5-dioxo-2，5-dihydro-1H-pyrrol-1-yl)phenyl)acetamide - ≥95%, high purity , CAS No.5702-75-0

COA

Grade & Purity:

≥95%

Cas Number: 5702-75-0
Molecular Weight: 230.23
PubChem CID: 255594

In stock

Item Number

N770011

Grouped product items
SKU	Size	Availability	Price	Qty
N770011-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
N770011-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$780.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolines
    - Subclass Phenylpyrrolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolines
Subclass	Phenylpyrrolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolines
Alternative Parents	Acetanilides N-acetylarylamines Maleimides N-substituted carboxylic acid imides Pyrroles Dicarboximides Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrroline - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Dicarboximide - Acetamide - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
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	N-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
INCHI	InChI=1S/C12H10N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7H,1H3,(H,13,15)
InChIKey	QQFMVORCQKXLRN-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES	CC(=O)NC1=CC=C(C=C1)N2C(=O)C=CC2=O
PubChem CID	255594
Molecular Weight	230.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	230.220 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	230.069 Da
Monoisotopic Mass	230.069 Da
Topological Polar Surface Area	66.500 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	363.000
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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