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2',4'-Dimethylbiphenyl-3-carboxylic acid - 95%, high purity , CAS No.1170419-33-6
Discover 2',4'-Dimethylbiphenyl-3-carboxylic acid by Aladdin Scientific in 95% for only $3,132.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2',4'-DIMETHYLBIPHENYL-3-CARBOXYLIC ACID | 1170419-33-6 | 3-(2,4-dimethylphenyl)benzoic acid | DTXSID20656543 | VWB41933 | MFCD12403278 | AKOS002683450 | BS-19292 | 2',4'-Dimethyl biphenyl-3-carboxylic acid | CS-0212133 | EN300-841942 | 2',4'-DIMETHYLBIPHENYL-3-CARBOXYLICACID |
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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 m-Xylenes Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Benzoic acid - Benzoic acid or derivatives - M-xylene - Xylene - 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
Data sources
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.
Names and Identifiers
IUPAC Name
3-(2,4-dimethylphenyl)benzoic acid
INCHI
InChI=1S/C15H14O2/c1-10-6-7-14(11(2)8-10)12-4-3-5-13(9-12)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKey
UMORCGAQBRIKAF-UHFFFAOYSA-N
Smiles
CC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C
Isomeric SMILES
CC1=CC(=C(C=C1)C2=CC(=CC=C2)C(=O)O)C
Molecular Weight
226.3
Reaxy-Rn
52835412
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52835412&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
226.270 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
226.099 Da
Monoisotopic Mass
226.099 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
274.000
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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