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Home Other Building Blocks 2-Cyclohexylphenol

2-Cyclohexylphenol

CAS No.:
119-42-6
Catalog Number:
AG003H4S
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$57
- +
5g
95%
In Stock USA
United States
$225
- +
25g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003H4S
Chemical Name:
2-Cyclohexylphenol
CAS Number:
119-42-6
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00019335
IUPAC Name:
2-cyclohexylphenol
InChI:
InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChI Key:
MVRPPTGLVPEMPI-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1CCCCC1
UNII:
KIR1PB30LI
NSC Number:
6093
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Characterization of anticancer properties of 2,6-diisopropylphenol-docosahexaenoate and analogues in breast cancer cells. Bioorganic & medicinal chemistry 20100301
Properties