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Home > Other Heterocycles > 1402232-58-9
1402232-58-9 | 1,9-Dioxa-4-azaspiro[5.5]undecan-3-one
CAS No: 1402232-58-9 Catalog No: AG01ETRP MDL No:
Product Description
Catalog Number:
AG01ETRP
Chemical Name:
1,9-Dioxa-4-azaspiro[5.5]undecan-3-one
CAS Number:
1402232-58-9
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
IUPAC Name:
1,9-dioxa-4-azaspiro[5.5]undecan-3-one
InChI:
InChI=1S/C8H13NO3/c10-7-5-12-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChI Key:
RAVCGXRMQNLJHE-UHFFFAOYSA-N
SMILES:
O=C1COC2(CN1)CCOCC2
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:
3
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:
-0.6
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