ethyl 5-oxooxepane-4-carboxylate


Chemical Name: ethyl 5-oxooxepane-4-carboxylate
CAS Number: 938181-32-9
Product Number: AG003AA6(AGN-PC-0I6BMB)
Synonyms:
MDL No:
Molecular Formula: C9H14O4
Molecular Weight: 186.2051

Identification/Properties


Computed Properties
Molecular Weight:
186.207g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
186.089g/mol
Monoisotopic Mass:
186.089g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
200
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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