Isoundecanoic acid


Chemical Name: Isoundecanoic acid
CAS Number: 1119-63-7
Product Number: AG0038ZF(AGN-PC-0LPWYE)
Synonyms:
MDL No:
Molecular Formula: C11H22O2
Molecular Weight: 186.2912

Identification/Properties


Computed Properties
Molecular Weight:
186.295g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
186.162g/mol
Monoisotopic Mass:
186.162g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
130
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

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NMR Spectrum


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