6-Heptenoic acid


Chemical Name: 6-Heptenoic acid
CAS Number: 1119-60-4
Product Number: AG003803(AGN-PC-0JL9VH)
Synonyms:
MDL No:
Molecular Formula: C7H12O2
Molecular Weight: 128.1690

Identification/Properties


Computed Properties
Molecular Weight:
128.171g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
128.084g/mol
Monoisotopic Mass:
128.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
97.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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