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Home > Other Heterocycles > 98011-07-5
98011-07-5 | 1,5-Dioxaspiro[2.4]heptan-4-one
CAS No: 98011-07-5 Catalog No: AG005X0S MDL No:MFCD31617234
Product Description
Catalog Number:
AG005X0S
Chemical Name:
1,5-Dioxaspiro[2.4]heptan-4-one
CAS Number:
98011-07-5
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
MDL Number:
MFCD31617234
IUPAC Name:
1,6-dioxaspiro[2.4]heptan-7-one
InChI:
InChI=1S/C5H6O3/c6-4-5(3-8-5)1-2-7-4/h1-3H2
InChI Key:
NEQGXDSEGXGESP-UHFFFAOYSA-N
SMILES:
O=C1OCCC21CO2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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