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Home > Other Heterocycles > 89665-14-5
89665-14-5 | 7-Oxa-1,4-dithiaspiro[4.5]decan-6-one, 9-acetyl-10-methoxy-
CAS No: 89665-14-5 Catalog No: AG0044L6 MDL No:
Product Description
Catalog Number:
AG0044L6
Chemical Name:
7-Oxa-1,4-dithiaspiro[4.5]decan-6-one, 9-acetyl-10-methoxy-
CAS Number:
89665-14-5
Molecular Formula:
C10H14O4S2
Molecular Weight:
262.3458
IUPAC Name:
7-acetyl-6-methoxy-9-oxa-1,4-dithiaspiro[4.5]decan-10-one
InChI:
InChI=1S/C10H14O4S2/c1-6(11)7-5-14-9(12)10(8(7)13-2)15-3-4-16-10/h7-8H,3-5H2,1-2H3
InChI Key:
VUEFDGJYMSHXKJ-UHFFFAOYSA-N
SMILES:
COC1C(COC(=O)C21SCCS2)C(=O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.338g/mol
Monoisotopic Mass:
262.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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