3,3'',5,5''-tetraformyl-4,4''-biphenyldiol - ≥97% , CAS No.286385-47-5

CAS: 286385-47-5 Cat. No.: B300686 Molecular Weight: 298.25

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488202395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202395
• Canonical Smiles: C1=C(C=C(C(=C1C=O)O)C=O)C2=CC(=C(C(=C2)C=O)O)C=O
• IUPAC Name: 5-(3,5-diformyl-4-hydroxyphenyl)-2-hydroxybenzene-1,3-dicarbaldehyde
• InChIKey: WEVNYHQPOMEBEZ-UHFFFAOYSA-N
• INCHI: 1S/C16H10O6/c17-5-11-1-9(2-12(6-18)15(11)21)10-3-13(7-19)16(22)14(4-10)8-20/h1-8,21-22H
• Isomeric SMILES: C1=C(C=C(C(=C1C=O)O)C=O)C2=CC(=C(C(=C2)C=O)O)C=O
• Molecular Weight: 298.25
• Reaxy-Rn: 8633661
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8633661&ln=

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 Hydroxybenzaldehydes Benzoyl derivatives Phenols Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenol - Biphenyl - Hydroxybenzaldehyde - Benzoyl - Benzaldehyde - Aryl-aldehyde - Phenol - Vinylogous acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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

• Molecular Weight: 298.250 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 298.048 Da
• Monoisotopic Mass: 298.048 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 360.000
• 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