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Home Other Building Blocks 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

CAS No.:
17530-69-7
Catalog Number:
AG0020WJ
Molecular Formula:
C8H11ClO
Molecular Weight:
158.6253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$50
- +
25g
95%
In Stock USA
United States
$200
- +
100g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0020WJ
Chemical Name:
3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
CAS Number:
17530-69-7
Molecular Formula:
C8H11ClO
Molecular Weight:
158.6253
MDL Number:
MFCD00051620
IUPAC Name:
3-chloro-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChI Key:
PJYTYJGMJDIKEJ-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)CC(C1)(C)C
UNII:
E73W928G5O
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.05g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.625g/mol
Monoisotopic Mass:
158.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties