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Home > Other Heterocycles > 88370-20-1
88370-20-1 | 2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)butyl]-1-methyl-
CAS No: 88370-20-1 Catalog No: AG004G0W MDL No:
Product Description
Catalog Number:
AG004G0W
Chemical Name:
2-Thiaspiro[4.5]decane-7,9-dione, 8-[1-(ethoxyimino)butyl]-1-methyl-
CAS Number:
88370-20-1
Molecular Formula:
C16H25NO3S
Molecular Weight:
311.4396
IUPAC Name:
8-(N-ethoxy-C-propylcarbonimidoyl)-1-methyl-2-thiaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C16H25NO3S/c1-4-6-12(17-20-5-2)15-13(18)9-16(10-14(15)19)7-8-21-11(16)3/h11,15H,4-10H2,1-3H3
InChI Key:
QTRFVKLXSDLBQR-UHFFFAOYSA-N
SMILES:
CCCC(=NOCC)C1C(=O)CC2(CC1=O)CCSC2C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.156g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.44g/mol
Monoisotopic Mass:
311.156g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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