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5-(Methoxycarbonyl)-1H-pyrrole-2-carboxylic acid - ≥98%, high purity , CAS No.1199-64-0

COA

Grade & Purity:

≥98%

Cas Number: 1199-64-0
Molecular Weight: 169.13
PubChem CID: 12459972

In stock

Item Number

H770461

Grouped product items
SKU	Size	Availability	Price
H770461-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$433.90
H770461-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,733.90
H770461-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,033.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrroles
    - Subclass Pyrrole carboxylic acids and derivatives
      - Level5 Pyrrole carboxylic acids
        Level6 Pyrrole 2-carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrroles
Subclass	Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes	Pyrrole carboxylic acids
Direct Parent	Pyrrole 2-carboxylic acids
Alternative Parents	Substituted pyrroles Methyl esters Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrole 2-carboxylic acids. These are pyrrole carboxylic acids where the carboxyl group is attached at position C2.
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

INCHI	InChI=1S/C7H7NO4/c1-12-7(11)5-3-2-4(8-5)6(9)10/h2-3,8H,1H3,(H,9,10)
InChIKey	RSCFOPAKJCCZNX-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(N1)C(=O)O
Isomeric SMILES	COC(=O)C1=CC=C(N1)C(=O)O
Molecular Weight	169.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	169.130 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	169.038 Da
Monoisotopic Mass	169.038 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	204.000
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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