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Home > Other Heterocycles > 1781131-51-8
1781131-51-8 | 1,9-dioxa-3-azaspiro[5.5]undecan-2-one
CAS No: 1781131-51-8 Catalog No: AG018I5S MDL No:MFCD28553293
Product Description
Catalog Number:
AG018I5S
Chemical Name:
1,9-dioxa-3-azaspiro[5.5]undecan-2-one
CAS Number:
1781131-51-8
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD28553293
IUPAC Name:
1,9-dioxa-3-azaspiro[5.5]undecan-2-one
InChI:
InChI=1S/C8H13NO3/c10-7-9-4-1-8(12-7)2-5-11-6-3-8/h1-6H2,(H,9,10)
InChI Key:
MHOLNCFCSNCLIP-UHFFFAOYSA-N
SMILES:
O=C1NCCC2(O1)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:
0.3
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