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85920-71-4 | Oxacyclotetradecane-2,4-dione
CAS No: 85920-71-4 Catalog No: AG004QMJ MDL No:
Product Description
Catalog Number:
AG004QMJ
Chemical Name:
Oxacyclotetradecane-2,4-dione
CAS Number:
85920-71-4
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
oxacyclotetradecane-2,4-dione
InChI:
InChI=1S/C13H22O3/c14-12-9-7-5-3-1-2-4-6-8-10-16-13(15)11-12/h1-11H2
InChI Key:
DSMOQRAVYHIRLL-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCCCCCOC(=O)C1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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