Propanoic acid, 2,2-dimethyl-, 2-ethylhexyl ester


Chemical Name: Propanoic acid, 2,2-dimethyl-, 2-ethylhexyl ester
CAS Number: 16387-18-1
Product Number: AG001UH2(AGN-PC-0JLVZT)
Synonyms:
MDL No:
Molecular Formula: C13H26O2
Molecular Weight: 214.3443

Identification/Properties


Computed Properties
Molecular Weight:
214.349g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
214.193g/mol
Monoisotopic Mass:
214.193g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
180
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


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