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2-Acetyl-5-norbornene, mixture of endo and exo

2-Acetyl-5-norbornene, mixture of endo and exo

Inquiry

Molecular Formula:

C9H12O

Molecular Weight:

136.19

CAS Number:

5063-03-6

Catalog Number:

5063-03-6

Product Information

Molecular Formula:

C9H12O

Molecular Weight:

136.19

Description

2-Acetyl-5-norbornene was used in the synthesis of the 2-acetylnorbornyl isothiocyanates: exo-2-acetyl-exo-6-isothiocyanatonorbornane, endo-2-acetyl-exo-6-isothiocyanatonorbornane and exo-2-acetyl-exo-5-isothiocyanatonorbornane.

Synonyms

1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

IUPAC Name

1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone

Canonical SMILES

CC(=O)C1CC2CC1C=C2

InChI

InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3

InChI Key

NIMLCWCLVJRPFY-UHFFFAOYSA-N

Boiling Point

191 °C

Flash Point

143.6 °CF - closed cup

Purity

98 %

Density

1.049 g/cm³

Appearance

Clear light yellow to yellowish-brown liquid

Refractive Index

n20/D 1.484 (lit.)

LogP

1.78760

Safety Information

Hazards

H302

Precautionary Statement

P264, P270, P301+P312, P330, and P501

Signal Word

Warning

Computed Properties

XLogP3

1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

136.088815002 g/mol

Monoisotopic Mass

136.088815002 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

193

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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2-Acetyl-5-norbornene, mixture of endo and exo

Product Information

Safety Information

Computed Properties

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