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Home Other Building Blocks 2-Allylcyclohexanone

2-Allylcyclohexanone

CAS No.:
94-66-6
Catalog Number:
AG003GBW
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$38
- +
5g
97%
In Stock USA
United States
$113
- +
25g
97%
In Stock USA
United States
$400
- +
100g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG003GBW
Chemical Name:
2-Allylcyclohexanone
CAS Number:
94-66-6
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD00043548
IUPAC Name:
2-prop-2-enylcyclohexan-1-one
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
SMILES:
C=CCC1CCCCC1=O
EC Number:
202-352-2
NSC Number:
128921
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Iodo- and bromo-enolcyclization of 2-(2-propenyl)cyclohexanediones and 2-(2-propenyl)cyclohexenone derivatives using iodine in methanol and pyridinium hydrobromide perbromide in dichloromethane. Organic & biomolecular chemistry 20050707
Properties