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Triphenylene-2，3，6，7，10，11-hexaol hydrate - ≥95%, high purity , CAS No.865836-87-9

COA

Grade & Purity:

≥95%

Cas Number: 865836-87-9
Molecular Weight: 342.30
PubChem CID: 56924544

In stock

Item Number

T768556

Grouped product items
SKU	Size	Availability	Price	Qty
T768556-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives
    - Subclass Triphenylenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Triphenylenes
Intermediate Tree Nodes	Not available
Direct Parent	Triphenylenes
Alternative Parents	Phenanthrols Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Triphenylene - Phenanthrol - 2-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
External Descriptors	Not available
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

Names and Identifiers

INCHI	InChI=1S/C18H12O6.H2O/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11;/h1-6,19-24H;1H2
InChIKey	RRFZCJGLIHVKTK-UHFFFAOYSA-N
Smiles	C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O.O
Isomeric SMILES	C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O.O
Molecular Weight	342.30

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	342.300 g/mol
XLogP3
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	342.074 Da
Monoisotopic Mass	342.074 Da
Topological Polar Surface Area	122.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	364.000
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	2

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