3,6-DIHYDROXYBENZONORBORNENE

Inquiry

Molecular Formula:

C11H12O2

Molecular Weight:

176.22

CAS Number:

16144-91-5

Catalog Number:

16144-91-5

Product Information

Molecular Formula:

C11H12O2

Molecular Weight:

176.22

Description

3,6-Dihydroxybenzonorbornene is an important biomedical compound that holds great promise in fighting a variety of diseases. With its powerful antioxidant capacity, it is used in drug synthesis to target cancer, neurodegenerative diseases, and cardiovascular diseases.

Synonyms

Benzonorbornene-3,6-diol||||1,2,3,4-Tetrahydro-1,4-methanonaphthalene-5,8-diol

IUPAC Name

tricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol

Canonical SMILES

C1CC2CC1C3=C(C=CC(=C23)O)O

InChI

InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2

InChI Key

JYHNNCBQCSLFQM-UHFFFAOYSA-N

Boiling Point

176-178°C

Melting Point

180 °C

Purity

>98.0%(T)(HPLC)

Density

1.0558 (rough estimate)

Appearance

White to Light yellow powder to crystal

Refractive Index

1.5100 (estimate)

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

176.083729621 g/mol

Monoisotopic Mass

176.083729621 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

194

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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Concentration _(final)

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3,6-DIHYDROXYBENZONORBORNENE

Product Information

Computed Properties

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