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Home Other Building Blocks 6-Heptenoic acid

6-Heptenoic acid

CAS No.:
1119-60-4
Catalog Number:
AG003803
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$182
- +
5g
95%
In Stock USA
United States
$638
- +
Product Description
Catalog Number:
AG003803
Chemical Name:
6-Heptenoic acid
CAS Number:
1119-60-4
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00014382
IUPAC Name:
hept-6-enoic acid
InChI:
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
InChI Key:
RWNJOXUVHRXHSD-UHFFFAOYSA-N
SMILES:
C=CCCCCC(=O)O
EC Number:
214-283-5
UNII:
TZY1TN97UH
Properties
Complexity:
97.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
(E)-7-(Pyren-1-yl)hept-6-enoic acid. Acta crystallographica. Section E, Structure reports online 20100701
Design, synthesis, and biological activity of m-tyrosine-based 16- and 17-membered macrocyclic inhibitors of hepatitis C virus NS3 serine protease. Journal of medicinal chemistry 20051006
Properties