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

CAS: 1506-76-9 Cat. No.: D699830 분자식: C₂₁H₁₈O₆ 분자량: 366.36

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

528773230

정식 스마일

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

이성체 SMILES

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

분자량

366.36

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 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