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Home > Other Heterocycles > 89858-92-4
89858-92-4 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-(1,1-dimethylethyl)-
CAS No: 89858-92-4 Catalog No: AG003WRB MDL No:
Product Description
Catalog Number:
AG003WRB
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 6-(1,1-dimethylethyl)-
CAS Number:
89858-92-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
6-tert-butyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C11H16O2/c1-11(2,3)9-6-8-4-7(12)5-10(9)13-8/h6,8,10H,4-5H2,1-3H3
InChI Key:
DFGXLJQCUYXYAX-UHFFFAOYSA-N
SMILES:
CC(C1=CC2OC1CC(=O)C2)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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