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Home > Other Heterocycles > 4423-79-4
4423-79-4 | 1,4-Dioxaspiro[4.5]decan-2-one
CAS No: 4423-79-4 Catalog No: AG003FCK MDL No:MFCD00010852
Product Description
Catalog Number:
AG003FCK
Chemical Name:
1,4-Dioxaspiro[4.5]decan-2-one
CAS Number:
4423-79-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD00010852
IUPAC Name:
1,4-dioxaspiro[4.5]decan-3-one
InChI:
InChI=1S/C8H12O3/c9-7-6-10-8(11-7)4-2-1-3-5-8/h1-6H2
InChI Key:
HBGAMCTZOLJGAS-UHFFFAOYSA-N
SMILES:
O=C1COC2(O1)CCCCC2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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