Heptanoic acid, 3-oxo-, methyl ester


Chemical Name: Heptanoic acid, 3-oxo-, methyl ester
CAS Number: 39815-78-6
Product Number: AG00I7TB(AGN-PC-0JSO5Y)
Synonyms:
MDL No:
Molecular Formula: C8H14O3
Molecular Weight: 158.1950

Identification/Properties


Properties
BP:
206°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.4280-1.4310
Computed Properties
Molecular Weight:
158.197g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
158.094g/mol
Monoisotopic Mass:
158.094g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
140
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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