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Home Other Building Blocks 4-N-Heptyloxybenzoic acid

4-N-Heptyloxybenzoic acid

CAS No.:
15872-42-1
Catalog Number:
AG001QS2
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$62
- +
25g
95%
In Stock USA
United States
$175
- +
Product Description
Catalog Number:
AG001QS2
Chemical Name:
4-N-Heptyloxybenzoic acid
CAS Number:
15872-42-1
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
MDL Number:
MFCD00013992
IUPAC Name:
4-heptoxybenzoic acid
InChI:
InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
InChI Key:
ZRVIYEJYXIDATJ-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)O
EC Number:
239-995-3
UNII:
BJ0YZC8ZY8
NSC Number:
73158
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC. Bioorganic & medicinal chemistry 20070401
Properties