aCIDE 2'-HYDROXY-2-BIPHÉNYLCARBOXYLIQUE , CAS No.4445-30-1

CAS: 4445-30-1 Cat. No.: H170393 Formule: C₁₃H₁₀O₃ Poids moléculaire: 214.223 Numéro CE: 636-936-7

Synonyms

2'-Hydroxy-[1,1'-biphenyl]-2-carboxylic acid | 2'-Hydroxy-[1,1'-biphenyl]-2-carboxylicacid | 2-(2-hydroxyphenyl)benzoic Acid | 2'-hydroxybiphenyl-2-carboxylic acid | MFCD00094285 | 2'-hydroxy-2-biphenylcarboxylic acid | DTXSID60407758 | BS-28799 | 2-(2-Hy

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

2'-Hydroxy-[1,1'-biphenyl]-2-carboxylic acid | 2'-Hydroxy-[1,1'-biphenyl]-2-carboxylicacid | 2-(2-hydroxyphenyl)benzoic Acid | 2'-hydroxybiphenyl-2-carboxylic acid | MFCD00094285 | 2'-hydroxy-2-biphenylcarboxylic acid | DTXSID60407758 | BS-28799 | 2-(2-Hy

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Noms et identifiants

• Sourires canoniques: C1=CC=C(C(=C1)C2=CC=CC=C2O)C(=O)O
• IUPAC Name: 2-(2-hydroxyphenyl)benzoic acid
• InChIKey: LTDWHGJBVJGQKY-UHFFFAOYSA-N
• INCHI: 1S/C13H10O3/c14-12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(15)16/h1-8,14H,(H,15,16)
• Isomères SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2O)C(=O)O
• Poids moléculaire: 214.223
• Reaxy-Rn: 3275593
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3275593&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 214.220 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.063 Da
• Monoisotopic Mass: 214.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4445-30-1, the molecular formula is C13H10O3, and the molecular weight is 214.223 g/mol. InChIKey LTDWHGJBVJGQKY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.