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Home > Other Heterocycles > 154811-20-8
154811-20-8 | 8-Oxabicyclo[3.2.1]oct-6-en-2-one
CAS No: 154811-20-8 Catalog No: AG007FQ4 MDL No:
Product Description
Catalog Number:
AG007FQ4
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-2-one
CAS Number:
154811-20-8
Molecular Formula:
C7H8O2
Molecular Weight:
124.1372
IUPAC Name:
8-oxabicyclo[3.2.1]oct-6-en-2-one
InChI:
InChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-5,7H,1,3H2
InChI Key:
BFQDYHKGEHODQT-UHFFFAOYSA-N
SMILES:
O=C1CCC2OC1C=C2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.052g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.139g/mol
Monoisotopic Mass:
124.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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