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Home > Other Heterocycles > 2091653-01-7
2091653-01-7 | 4,9-dioxa-1-azaspiro[5.5]undecan-5-one
CAS No: 2091653-01-7 Catalog No: AG01BS4M MDL No:
Product Description
Catalog Number:
AG01BS4M
Chemical Name:
4,9-dioxa-1-azaspiro[5.5]undecan-5-one
CAS Number:
2091653-01-7
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
4,9-dioxa-1-azaspiro[5.5]undecan-5-one
InChI:
InChI=1S/C8H13NO3/c10-7-8(9-3-6-12-7)1-4-11-5-2-8/h9H,1-6H2
InChI Key:
FVODLSJKTFLMDU-UHFFFAOYSA-N
SMILES:
O=C1OCCNC21CCOCC2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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