4,4'-Dihydroxy-[1,1'-biphenyl]-3,3'-dicarboxylic acid - ≥98% , CAS No.13987-45-6

CAS: 13987-45-6 Cat. No.: D725251 Molecular Weight: 274.23 PubChem CID: 10934636

GRADE & PURITY ≥98%

Synonyms

4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid | 5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4, 4'-Dihydroxybiphenyl-3, 3'-dicarboxylic acid | 5-(3-Carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
• IUPAC Name: 5-(3-carboxy-4-hydroxyphenyl)-2-hydroxybenzoic acid
• InChIKey: UISWLBIMLGAHMF-UHFFFAOYSA-N
• INCHI: 1S/C14H10O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
• Isomeric SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
• PubChem CID: 10934636
• Molecular Weight: 274.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenols
• Alternative Parents: Biphenyls and derivatives Salicylic acids Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenol - Biphenyl - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 274.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 274.048 Da
• Monoisotopic Mass: 274.048 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• 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

References

1. Jiesai Ma, Junhua Zhao, Qin Hu, Ruo Wang, Shen Wang, Yangjun Mao, Xiaohong Tao, Hexin Wang, Jiawen Hong, Qingqing Xu, Xiangsheng Xu.  (2026)  Cobalt-tuned engineering of nanorod arrays in Ni MOF films for high-contrast electrochromics.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2026.103153]