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9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol

9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol

Inquiry

Molecular Formula:

C20H14O3

Molecular Weight:

302.32

CAS Number:

910324-11-7

Catalog Number:

910324-11-7

Product Information

Molecular Formula:

C20H14O3

Molecular Weight:

302.32

Synonyms

2,6,14-trihydroxytriptene; 2,6,14-trioltriptycene; 9,10-Dihydro-9,10-o-benzenoanthracene-2,6,14-triol; 9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol; Pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-triol

IUPAC Name

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-triol

Canonical SMILES

C1=CC2=C(C=C1O)C3C4=C(C2C5=C3C=C(C=C5)O)C=C(C=C4)O

InChI

InChI=1S/C20H14O3/c21-10-3-6-15-16(7-10)19-13-4-1-11(22)8-17(13)20(15)18-9-12(23)2-5-14(18)19/h1-9,19-23H

InChI Key

PFZWJKWKWBNLFY-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

3.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

302.094294304

Monoisotopic Mass

302.094294304

Topological Polar Surface Area

60.7

Heavy Atom Count

Formal Charge

Complexity

438

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,6,14-triol

Product Information

Computed Properties

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