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2-(5-cyano-1-methyl-1H-pyrrol-2-yl)aceticacid - ≥98%, high purity , CAS No.71290-65-8

COA

Grade & Purity:

≥98%

Cas Number: 71290-65-8
Molecular Weight: 164.16
PubChem CID: 15571534

In stock

Item Number

A728476

Grouped product items
SKU	Size	Availability	Price	Qty
A728476-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,358.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Substituted pyrroles
      - Level5 N-substituted pyrroles
        Level6 N-methylpyrroles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Substituted pyrroles
Intermediate Tree Nodes	N-substituted pyrroles
Direct Parent	N-methylpyrroles
Alternative Parents	Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-methylpyrrole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Azacycle - Nitrile - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole.
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	2-(5-cyano-1-methylpyrrol-2-yl)acetic acid
INCHI	InChI=1S/C8H8N2O2/c1-10-6(4-8(11)12)2-3-7(10)5-9/h2-3H,4H2,1H3,(H,11,12)
InChIKey	APMOBEWQZBWHBO-UHFFFAOYSA-N
Smiles	CN1C(=CC=C1C#N)CC(=O)O
Isomeric SMILES	CN1C(=CC=C1C#N)CC(=O)O
PubChem CID	15571534
Molecular Weight	164.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	164.160 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	164.059 Da
Monoisotopic Mass	164.059 Da
Topological Polar Surface Area	66.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	230.000
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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2-(5-cyano-1-methyl-1H-pyrrol-2-yl)aceticacid - ≥98%, high purity , CAS No.71290-65-8

Basic Description