2-Allylcyclohexanone

Product Information

Molecular Formula:
C9H14O
Molecular Weight:
138.21
Description
2-Allylcyclohexanone (CAS# 94-66-6) is a useful research chemical.
Synonyms
2-prop-2-enylcyclohexan-1-one
IUPAC Name
2-prop-2-enylcyclohexan-1-one
Canonical SMILES
C=CCC1CCCCC1=O
InChI
InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2
InChI Key
UPGHEUSRLZSXAE-UHFFFAOYSA-N
Boiling Point
94 ℃ (23 mmHg)
Purity
97 %
Density
0.927 g/cm3
Appearance
Clear light yellow liquid
Storage
Inert atmosphere, Room Temperature
Refractive Index
1.47
LogP
2.32180

Safety Information

Hazards
H302 + H312 + H332 H315 H319
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
138.104465066 g/mol
Monoisotopic Mass
138.104465066 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
138
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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