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Home > Other Heterocycles > 1221792-94-4
1221792-94-4 | 8-oxa-1-thia-4-azaspiro[4.5]decan-3-one
CAS No: 1221792-94-4 Catalog No: AG00IZAA MDL No:MFCD16140315
Product Description
Catalog Number:
AG00IZAA
Chemical Name:
8-oxa-1-thia-4-azaspiro[4.5]decan-3-one
CAS Number:
1221792-94-4
Molecular Formula:
C7H11NO2S
Molecular Weight:
173.2327
MDL Number:
MFCD16140315
IUPAC Name:
8-oxa-1-thia-4-azaspiro[4.5]decan-3-one
InChI:
InChI=1S/C7H11NO2S/c9-6-5-11-7(8-6)1-3-10-4-2-7/h1-5H2,(H,8,9)
InChI Key:
GDGABQIOYWTEIA-UHFFFAOYSA-N
SMILES:
O=C1CSC2(N1)CCOCC2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.23g/mol
Monoisotopic Mass:
173.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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