8-Oxaspiro[4.5]decane-7,9-dione

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Molecular Formula:

C9H12O3

Molecular Weight:

168.1910

CAS Number:

5662-95-3

Catalog Number:

5662-95-3

Product Information

Molecular Formula:

C9H12O3

Molecular Weight:

168.1910

Description

8-Oxaspiro[4.5]decane-7,9-dione is an indispensable substance within the biomedical sector. Its remarkable attributes empower it to combat malignant ailments, including cancer and inflammation, fostering hope within the realms of medical intervention.

Synonyms

8-Oxaspiro[4.5]decane-7,9-dione

IUPAC Name

8-oxaspiro[4.5]decane-7,9-dione

Canonical SMILES

C1CCC2(C1)CC(=O)OC(=O)C2

InChI

InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2

InChI Key

GFWLMILMVMCJDI-UHFFFAOYSA-N

Boiling Point

186 °C/15 mmHg (lit.)

Melting Point

64-66 °C (lit.)

Flash Point

Not applicable

Purity

0.98

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

1.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

168.078644241 g/mol

Monoisotopic Mass

168.078644241 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

208

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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8-Oxaspiro[4.5]decane-7,9-dione

Product Information

Safety Information

Computed Properties

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