CAS 4877-80-9 | 2,3,6,7,10,11-Hexahydroxytriphenylene | CAS Number 4877-80-9

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4877-80-9 | 2,3,6,7,10,11-Hexahydroxytriphenylene

CAS No: 4877-80-9 Catalog No: AG0032XA MDL No:MFCD01321170

Product Description

Catalog Number:

AG0032XA

Chemical Name:

2,3,6,7,10,11-Hexahydroxytriphenylene

CAS Number:

4877-80-9

Molecular Formula:

C18H12O6

Molecular Weight:

324.2843

MDL Number:

MFCD01321170

IUPAC Name:

triphenylene-2,3,6,7,10,11-hexol

InChI:

InChI=1S/C18H12O6/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

InChI Key:

QMLILIIMKSKLES-UHFFFAOYSA-N

SMILES:

Oc1cc2c(cc1O)c1cc(O)c(cc1c1c2cc(O)c(c1)O)O

Properties

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

324.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

324.288g/mol

Monoisotopic Mass:

324.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
A 2D covalent organic framework with 4.7-nm pores and insight into its interlayer stacking.	Journal of the American Chemical Society 20111207
Covalent organic frameworks: Growing honeycombs on graphene.	Nature nanotechnology 20110606
Oriented 2D covalent organic framework thin films on single-layer graphene.	Science (New York, N.Y.) 20110408
2,3,6,7,10,11-Hexahydroxytriphenylene tetrahydrate: a new form of an important starting material for supramolecular chemistry and covalent organic frameworks.	Acta crystallographica. Section C, Crystal structure communications 20110401
Organized formation of 2D extended covalent organic frameworks at surfaces.	Journal of the American Chemical Society 20080528
Designed synthesis of 3D covalent organic frameworks.	Science (New York, N.Y.) 20070413
Chiral inclusion crystals constructed with achiral host and achiral guest molecules.	Enantiomer 20020101