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Home > Other Heterocycles > 16721-12-3
16721-12-3 | 9-Oxabicyclo[3.3.2]decan-10-one
CAS No: 16721-12-3 Catalog No: AG001X7F MDL No:
Product Description
Catalog Number:
AG001X7F
Chemical Name:
9-Oxabicyclo[3.3.2]decan-10-one
CAS Number:
16721-12-3
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
9-oxabicyclo[3.3.2]decan-10-one
InChI:
InChI=1S/C9H14O2/c10-9-7-3-1-5-8(11-9)6-2-4-7/h7-8H,1-6H2
InChI Key:
JPGKXKBTHUSBOS-UHFFFAOYSA-N
SMILES:
O=C1OC2CCCC1CCC2
NSC Number:
119499
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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