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5-Formyl-1H-pyrrole-2-carboxylic acid - ≥98%, high purity , CAS No.7126-51-4

COA

Grade & Purity:

≥98%

Cas Number: 7126-51-4
PubChem CID: 15160089

In stock

Item Number

F728272

Grouped product items
SKU	Size	Availability	Price
F728272-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90
F728272-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
F728272-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$228.90
F728272-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,141.90
F728272-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,282.90

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	Aryl-aldehydes Substituted pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrrole-2-carboxylic acid - Aryl-aldehyde - Substituted pyrrole - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - 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

IUPAC Name	5-formyl-1H-pyrrole-2-carboxylic acid
INCHI	InChI=1S/C6H5NO3/c8-3-4-1-2-5(7-4)6(9)10/h1-3,7H,(H,9,10)
InChIKey	RHYXVCZQDGPFBX-UHFFFAOYSA-N
Smiles	C1=C(NC(=C1)C(=O)O)C=O
Isomeric SMILES	C1=C(NC(=C1)C(=O)O)C=O
PubChem CID	15160089

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	139.110 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	139.027 Da
Monoisotopic Mass	139.027 Da
Topological Polar Surface Area	70.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	157.000
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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