Pentanoic acid, 3-methyl-, (3S)-


Chemical Name: Pentanoic acid, 3-methyl-, (3S)-
CAS Number: 1730-92-3
Product Number: AG007BYZ(AGN-PC-0O4W6I)
Synonyms:
MDL No:
Molecular Formula: C6H12O2
Molecular Weight: 116.1583

Identification/Properties


Computed Properties
Molecular Weight:
116.16g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
116.084g/mol
Monoisotopic Mass:
116.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
78.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
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


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