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biphenyl-2，2'，6，6'-tetracarboxylic acid - ≥98%, high purity , CAS No.4371-27-1

COA

Grade & Purity:

≥98%

Cas Number: 4371-27-1
Molecular Weight: 330.24
PubChem CID: 348703

In stock

Item Number

B770123

Grouped product items
SKU	Size	Availability	Price	Qty
B770123-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90

Basic Description

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	M-phthalic acid and derivatives Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Meta_phthalic_acid - Biphenyl - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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-(2,6-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
INCHI	InChI=1S/C16H10O8/c17-13(18)7-3-1-4-8(14(19)20)11(7)12-9(15(21)22)5-2-6-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey	YENVMPPRTXICRT-UHFFFAOYSA-N
Smiles	C1=CC(=C(C(=C1)C(=O)O)C2=C(C=CC=C2C(=O)O)C(=O)O)C(=O)O
Isomeric SMILES	C1=CC(=C(C(=C1)C(=O)O)C2=C(C=CC=C2C(=O)O)C(=O)O)C(=O)O
PubChem CID	348703
Molecular Weight	330.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	330.240 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	330.038 Da
Monoisotopic Mass	330.038 Da
Topological Polar Surface Area	149.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	450.000
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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