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2，2'-dimethyl-4，4'-biphenyldicarboxylic acid - ≥95%, high purity , CAS No.117490-52-5

COA

Grade & Purity:

≥95%

Cas Number: 117490-52-5
Molecular Weight: 270.28
PubChem CID: 15851781

In stock

Item Number

D768861

Grouped product items
SKU	Size	Availability	Price
D768861-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
D768861-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$197.90
D768861-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$982.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Benzoic acids Benzoyl derivatives Toluenes Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Toluene - 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	4-(4-carboxy-2-methylphenyl)-3-methylbenzoic acid
INCHI	InChI=1S/C16H14O4/c1-9-7-11(15(17)18)3-5-13(9)14-6-4-12(16(19)20)8-10(14)2/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKey	VUYFKAXNJXFNFA-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C(=O)O)C2=C(C=C(C=C2)C(=O)O)C
Isomeric SMILES	CC1=C(C=CC(=C1)C(=O)O)C2=C(C=C(C=C2)C(=O)O)C
PubChem CID	15851781
Molecular Weight	270.28

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.280 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	270.089 Da
Monoisotopic Mass	270.089 Da
Topological Polar Surface Area	74.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	343.000
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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