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

CAS: 13987-45-6 Cat. No.: D725251 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
• PubChem CID: 10934636
• Peso molecular: 274.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Peso molecular: 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

Referencias

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]