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

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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
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
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
136.088815002 g/mol
Monoisotopic Mass
136.088815002 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
193
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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