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(E)-3-([1,1'-Biphenyl]-4-yl)acrylic acid - 97%, high purity , CAS No.88241-65-0
Basic Description
Synonyms
p-Phenylcinnamic acid | 3-[1,1'-Biphenyl]-4-yl-2-propenoic acid, AldrichCPR | A806048 | (Z)-3-(4-phenylphenyl)prop-2-enoic acid | SCHEMBL165794 | JS-042C | BDBM50124584 | J-501863 | 3-([1,1'-Biphenyl]-4-yl)acrylic acid | EN300-152469 | MFCD00014010 | (E)-
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
Cinnamic acids Styrenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - Cinnamic acid - Biphenyl - Styrene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-3-(4-phenylphenyl)prop-2-enoic acid
INCHI
InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
InChIKey
DMJDEZUEYXVYNO-DHZHZOJOSA-N
Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O
Molecular Weight
224.25
Reaxy-Rn
1955124
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955124&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
224.250 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
224.084 Da
Monoisotopic Mass
224.084 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
269.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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