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Home Other Building Blocks 4'-Hydroxy-n-heptanophenone

4'-Hydroxy-n-heptanophenone

CAS No.:
14392-72-4
Catalog Number:
AG001ILY
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$53
- +
25g
98%(GC)
In Stock USA
United States
$85
- +
100g
98%(GC)
In Stock USA
United States
$236
- +
500g
98%(GC)
In Stock USA
United States
$673
- +
Product Description
Catalog Number:
AG001ILY
Chemical Name:
4'-Hydroxy-n-heptanophenone
CAS Number:
14392-72-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00191523
IUPAC Name:
1-(4-hydroxyphenyl)heptan-1-one
InChI:
InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
InChI Key:
MAZPQHJYGKZQEA-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)c1ccc(cc1)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a series of 4-hydroxyphenyl ketones as potential inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 (17beta-HSD3). Bioorganic & medicinal chemistry letters 20060901
Properties