Cyclotricatechylene - ≥98% , CAS No.1506-76-9

CAS: 1506-76-9 Cat. No.: D699830 Formule: C₂₁H₁₈O₆ Poids moléculaire: 366.36

QUALITÉ & PURETÉ ≥98%

Synonyms

10,15-Dihydro-5H-tribenzo[a,d,g][9]annulene-2,3,7,8,12,13-hexaol | Hexaphenol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spécifications

Synonymes

10,15-Dihydro-5H-tribenzo[a,d,g][9]annulene-2,3,7,8,12,13-hexaol | Hexaphenol

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528773230

Sourires canoniques

C1C2=CC(=C(C=C2CC3=CC(=C(C=C3CC4=CC(=C(C=C41)O)O)O)O)O)O

IUPAC Name

tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene-5,6,12,13,19,20-hexol

InChIKey

OOBDZXQTZWOBBQ-UHFFFAOYSA-N

INCHI

1S/C21H18O6/c22-16-4-10-1-11-5-17(23)19(25)7-13(11)3-15-9-21(27)20(26)8-14(15)2-12(10)6-18(16)24/h4-9,22-27H,1-3H2

Isomères SMILES

C1C2=CC(=C(C=C2CC3=CC(=C(C=C3CC4=CC(=C(C=C41)O)O)O)O)O)O

Poids moléculaire

366.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Polyols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

• Sensibilité: light sensitive
• Poids moléculaire: 366.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 366.11 Da
• Monoisotopic Mass: 366.11 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 402.000
• 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