Heptanoic acid, 2-propenyl ester


Chemical Name: Heptanoic acid, 2-propenyl ester
CAS Number: 142-19-8
Product Number: AG003NPS(AGN-PC-0JK8RG)
Synonyms:
MDL No:
Molecular Formula: C10H18O2
Molecular Weight: 170.2487

Identification/Properties


Properties
MP:
-66 °C
BP:
214°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.428(lit.)
Computed Properties
Molecular Weight:
170.252g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
170.131g/mol
Monoisotopic Mass:
170.131g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
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

Safety Information


NMR Spectrum


Other Analytical Data


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