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Home > Other Heterocycles > 90607-23-1
90607-23-1 | 8-oxa-2-azaspiro[4.5]decane-1,3-dione
CAS No: 90607-23-1 Catalog No: AG01B2E7 MDL No:MFCD12088030
Product Description
Catalog Number:
AG01B2E7
Chemical Name:
8-oxa-2-azaspiro[4.5]decane-1,3-dione
CAS Number:
90607-23-1
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD12088030
IUPAC Name:
8-oxa-2-azaspiro[4.5]decane-1,3-dione
InChI:
InChI=1S/C8H11NO3/c10-6-5-8(7(11)9-6)1-3-12-4-2-8/h1-5H2,(H,9,10,11)
InChI Key:
IHCTUJSPEDLQRV-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C1)CCOCC2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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