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Oxacyclotridecan-2-one

CAS No.:
947-05-7
Catalog Number:
AG003TIH
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003TIH
Chemical Name:
Oxacyclotridecan-2-one
CAS Number:
947-05-7
MDL Number:
MFCD00075426
IUPAC Name:
oxacyclotridecan-2-one
InChI:
InChI=1S/C12H22O2/c13-12-10-8-6-4-2-1-3-5-7-9-11-14-12/h1-11H2
InChI Key:
DQGSJTVMODPFBK-UHFFFAOYSA-N
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Odor detection thresholds and enantiomeric distributions of several 4-alkyl substituted gamma-lactones in Australian red wine. Journal of agricultural and food chemistry 20090325
Polymersome nanoreactors for enzymatic ring-opening polymerization. Biomacromolecules 20071201
Correlation between structure of the lactones and substrate specificity in enzyme-catalyzed polymerization for the synthesis of polyesters. Biomacromolecules 20030101
Properties