Oxiraneoctanoic acid, 3-octyl-, methyl ester


Chemical Name: Oxiraneoctanoic acid, 3-octyl-, methyl ester
CAS Number: 2500-59-6
Product Number: AG002Q68(AGN-PC-00URML)
Synonyms:
MDL No:
Molecular Formula: C19H36O3
Molecular Weight: 312.4873

Identification/Properties


Computed Properties
Molecular Weight:
312.494g/mol
XLogP3:
6.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
16
Exact Mass:
312.266g/mol
Monoisotopic Mass:
312.266g/mol
Topological Polar Surface Area:
38.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
278
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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