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Home > Other Heterocycles > 25404-12-0
25404-12-0 | 1,4-Dioxaspiro[4.4]non-7-en-6-one
CAS No: 25404-12-0 Catalog No: AG006UVQ MDL No:
Product Description
Catalog Number:
AG006UVQ
Chemical Name:
1,4-Dioxaspiro[4.4]non-7-en-6-one
CAS Number:
25404-12-0
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
1,4-dioxaspiro[4.4]non-7-en-9-one
InChI:
InChI=1S/C7H8O3/c8-6-2-1-3-7(6)9-4-5-10-7/h1-2H,3-5H2
InChI Key:
SOBXQHKTDDYCCG-UHFFFAOYSA-N
SMILES:
O=C1C=CCC21OCCO2
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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