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9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexacarboxylic acid

9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexacarboxylic acid

Inquiry

Molecular Formula:

C26H14O12

Molecular Weight:

518.38

CAS Number:

945681-56-1

Catalog Number:

945681-56-1

Product Information

Molecular Formula:

C26H14O12

Molecular Weight:

518.38

Synonyms

9,10[1',2']-Benzenoanthracene-2,3,6,7,14,15-hexacarboxylicacid,9,10-dihydro; 9,10-[1,2]Benzeno-9,10-dihydroanthracene-2,3,6,7,14,15-hexacarboxylic acid

IUPAC Name

pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-4,5,11,12,17,18-hexacarboxylic acid

Canonical SMILES

C1=C2C3C4=CC(=C(C=C4C(C2=CC(=C1C(=O)O)C(=O)O)C5=CC(=C(C=C35)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H14O12/c27-21(28)13-1-7-8(2-14(13)22(29)30)20-11-5-17(25(35)36)15(23(31)32)3-9(11)19(7)10-4-16(24(33)34)18(26(37)38)6-12(10)20/h1-6,19-20H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)

InChI Key

AEFFJAOVDLOJAG-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

518.04852588

Monoisotopic Mass

518.04852588

Topological Polar Surface Area

224

Heavy Atom Count

Formal Charge

Complexity

867

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)

Mass

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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9,10-Dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexacarboxylic acid

Product Information

Computed Properties

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