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Methyl 3，4-dimethyl-1H-pyrrole-2-carboxylate - ≥97%, high purity , CAS No.50634-33-8

COA

Grade & Purity:

≥97%

Cas Number: 50634-33-8
PubChem CID: 592724

In stock

Item Number

M698274

Grouped product items
SKU	Size	Availability	Price	Qty
M698274-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrole carboxylic acids and derivatives
Alternative Parents	Substituted pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
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	methyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
INCHI	InChI=1S/C8H11NO2/c1-5-4-9-7(6(5)2)8(10)11-3/h4,9H,1-3H3
InChIKey	DNTZFFSVKAZNPR-UHFFFAOYSA-N
Smiles	CC1=CNC(=C1C)C(=O)OC
Isomeric SMILES	CC1=CNC(=C1C)C(=O)OC
Alternate CAS	50634-33-8
PubChem CID	592724

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	153.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	153.079 Da
Monoisotopic Mass	153.079 Da
Topological Polar Surface Area	42.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
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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