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Home > Other Heterocycles > 116524-63-1
116524-63-1 | 2-Oxabicyclo[3.2.1]octan-3-one, 6-ethenyl-
CAS No: 116524-63-1 Catalog No: AG000COT MDL No:
Product Description
Catalog Number:
AG000COT
Chemical Name:
2-Oxabicyclo[3.2.1]octan-3-one, 6-ethenyl-
CAS Number:
116524-63-1
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
6-ethenyl-2-oxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C9H12O2/c1-2-6-3-8-4-7(6)5-9(10)11-8/h2,6-8H,1,3-5H2
InChI Key:
UQZQJFIIVDSYGG-UHFFFAOYSA-N
SMILES:
C=CC1CC2CC1CC(=O)O2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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