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Home > Other Heterocycles > 158632-48-5
158632-48-5 | 1,5-dioxaspiro[5.5]undecan-3-one
CAS No: 158632-48-5 Catalog No: AG001QDM MDL No:MFCD24690567
Product Description
Catalog Number:
AG001QDM
Chemical Name:
1,5-dioxaspiro[5.5]undecan-3-one
CAS Number:
158632-48-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD24690567
IUPAC Name:
1,5-dioxaspiro[5.5]undecan-3-one
InChI:
InChI=1S/C9H14O3/c10-8-6-11-9(12-7-8)4-2-1-3-5-9/h1-7H2
InChI Key:
IKAXKHQRFRTAFB-UHFFFAOYSA-N
SMILES:
O=C1COC2(OC1)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:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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