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692-87-5

692-87-5 | Decanoic acid, 10-oxo-, ethyl ester

CAS No: 692-87-5 Catalog No: AG006GH3 MDL No:

Product Description

Catalog Number:
AG006GH3
Chemical Name:
Decanoic acid, 10-oxo-, ethyl ester
CAS Number:
692-87-5
Molecular Formula:
C12H22O3
Molecular Weight:
214.3013
IUPAC Name:
ethyl 10-oxodecanoate
InChI:
InChI=1S/C12H22O3/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h11H,2-10H2,1H3
InChI Key:
FWPUOEGFOGZJMU-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCC(=O)OCC

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.157g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.305g/mol
Monoisotopic Mass:
214.157g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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