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Home > Other Heterocycles > 89665-11-2
89665-11-2 | 7-Oxa-1,4-dithiaspiro[4.5]decan-6-one, 9-acetyl-
CAS No: 89665-11-2 Catalog No: AG0043IC MDL No:
Product Description
Catalog Number:
AG0043IC
Chemical Name:
7-Oxa-1,4-dithiaspiro[4.5]decan-6-one, 9-acetyl-
CAS Number:
89665-11-2
Molecular Formula:
C9H12O3S2
Molecular Weight:
232.3198
IUPAC Name:
7-acetyl-9-oxa-1,4-dithiaspiro[4.5]decan-10-one
InChI:
InChI=1S/C9H12O3S2/c1-6(10)7-4-9(8(11)12-5-7)13-2-3-14-9/h7H,2-5H2,1H3
InChI Key:
GTBKCOOZOOQPJF-UHFFFAOYSA-N
SMILES:
CC(=O)C1COC(=O)C2(C1)SCCS2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.312g/mol
Monoisotopic Mass:
232.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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