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3-Cyanothiophene-2-carboxylic acid - ≥97%, high purity , CAS No.58231-00-8

COA

Grade & Purity:

≥97%

Cas Number: 58231-00-8
Molecular Weight: 153.16
PubChem CID: 11829652

In stock

Item Number

C726342

Grouped product items
SKU	Size	Availability	Price	Qty
C726342-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Thiophene carboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Thiophene carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Thiophene carboxylic acids
Alternative Parents	Heteroaromatic compounds Nitriles Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Thiophene carboxylic acid - Heteroaromatic compound - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
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	3-cyanothiophene-2-carboxylic acid
INCHI	InChI=1S/C6H3NO2S/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,(H,8,9)
InChIKey	AHKYFPXBUQSQAK-UHFFFAOYSA-N
Smiles	C1=CSC(=C1C#N)C(=O)O
Isomeric SMILES	C1=CSC(=C1C#N)C(=O)O
PubChem CID	11829652
Molecular Weight	153.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	153.160 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	152.988 Da
Monoisotopic Mass	152.988 Da
Topological Polar Surface Area	89.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	195.000
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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