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Home > Other Heterocycles > 73845-14-4
73845-14-4 | 3-Oxa-6-thia-1-azabicyclo[5.2.0]nonan-9-one, 2,2-dimethyl-
CAS No: 73845-14-4 Catalog No: AG005W7H MDL No:
Product Description
Catalog Number:
AG005W7H
Chemical Name:
3-Oxa-6-thia-1-azabicyclo[5.2.0]nonan-9-one, 2,2-dimethyl-
CAS Number:
73845-14-4
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
IUPAC Name:
2,2-dimethyl-3-oxa-6-thia-1-azabicyclo[5.2.0]nonan-9-one
InChI:
InChI=1S/C8H13NO2S/c1-8(2)9-6(10)5-7(9)12-4-3-11-8/h7H,3-5H2,1-2H3
InChI Key:
ZRVYSURLZGXYBP-UHFFFAOYSA-N
SMILES:
O=C1CC2N1C(C)(C)OCCS2
Properties
Complexity:
217
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:
0
Isotope Atom Count:
0
Molecular Weight:
187.257g/mol
Monoisotopic Mass:
187.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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