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Home > Other Heterocycles > 1784655-17-9
1784655-17-9 | 1-oxa-9-thia-3-azaspiro[5.5]undecan-2-one
CAS No: 1784655-17-9 Catalog No: AG01DSMR MDL No:MFCD28555121
Product Description
Catalog Number:
AG01DSMR
Chemical Name:
1-oxa-9-thia-3-azaspiro[5.5]undecan-2-one
CAS Number:
1784655-17-9
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
MDL Number:
MFCD28555121
IUPAC Name:
1-oxa-9-thia-3-azaspiro[5.5]undecan-2-one
InChI:
InChI=1S/C8H13NO2S/c10-7-9-4-1-8(11-7)2-5-12-6-3-8/h1-6H2,(H,9,10)
InChI Key:
BGRGXEQLMAQWEO-UHFFFAOYSA-N
SMILES:
O=C1NCCC2(O1)CCSCC2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.257g/mol
Monoisotopic Mass:
187.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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