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Home > Other Heterocycles > 958998-22-6
958998-22-6 | 1,4-DIOXASPIRO[5.5]UNDECAN-3-ONE
CAS No: 958998-22-6 Catalog No: AG00H6K5 MDL No:
Product Description
Catalog Number:
AG00H6K5
Chemical Name:
1,4-DIOXASPIRO[5.5]UNDECAN-3-ONE
CAS Number:
958998-22-6
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
1,4-dioxaspiro[5.5]undecan-3-one
InChI:
InChI=1S/C9H14O3/c10-8-6-12-9(7-11-8)4-2-1-3-5-9/h1-7H2
InChI Key:
GRHRTQOTYOZALF-UHFFFAOYSA-N
SMILES:
O=C1COC2(CO1)CCCCC2
Properties
Complexity:
182
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:
1.4
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