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Home > Other Heterocycles > 362706-72-7
362706-72-7 | 1,4-dioxaspiro[5.5]undecan-9-one
CAS No: 362706-72-7 Catalog No: AG01EJZ5 MDL No:MFCD31559818
Product Description
Catalog Number:
AG01EJZ5
Chemical Name:
1,4-dioxaspiro[5.5]undecan-9-one
CAS Number:
362706-72-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD31559818
IUPAC Name:
1,4-dioxaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C9H14O3/c10-8-1-3-9(4-2-8)7-11-5-6-12-9/h1-7H2
InChI Key:
LPDWFLIWXAPIJF-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)COCCO2
Properties
Complexity:
178
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:
-0.2
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