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Home > Other Heterocycles > 86971-90-6
86971-90-6 | 1-Oxaspiro[4.4]non-6-en-2-one
CAS No: 86971-90-6 Catalog No: AG004O3D MDL No:
Product Description
Catalog Number:
AG004O3D
Chemical Name:
1-Oxaspiro[4.4]non-6-en-2-one
CAS Number:
86971-90-6
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
1-oxaspiro[4.4]non-8-en-2-one
InChI:
InChI=1S/C8H10O2/c9-7-3-6-8(10-7)4-1-2-5-8/h1,4H,2-3,5-6H2
InChI Key:
VRBCESVXJRKZCJ-UHFFFAOYSA-N
SMILES:
O=C1CCC2(O1)C=CCC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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