Hexanoic acid, 3-methyl-


Chemical Name: Hexanoic acid, 3-methyl-
CAS Number: 3780-58-3
Product Number: AG00C05X(AGN-PC-004TNV)
Synonyms:
MDL No:
Molecular Formula: C7H14O2
Molecular Weight: 130.1849

Identification/Properties


Computed Properties
Molecular Weight:
130.187g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
130.099g/mol
Monoisotopic Mass:
130.099g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
88.9
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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