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Home > Other Heterocycles > 88063-80-3
88063-80-3 | 1-Oxa-3-azaspiro[4.5]decan-4-one, 3-hydroxy-2-thioxo-
CAS No: 88063-80-3 Catalog No: AG004L8W MDL No:
Product Description
Catalog Number:
AG004L8W
Chemical Name:
1-Oxa-3-azaspiro[4.5]decan-4-one, 3-hydroxy-2-thioxo-
CAS Number:
88063-80-3
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
IUPAC Name:
3-hydroxy-2-sulfanylidene-1-oxa-3-azaspiro[4.5]decan-4-one
InChI:
InChI=1S/C8H11NO3S/c10-6-8(4-2-1-3-5-8)12-7(13)9(6)11/h11H,1-5H2
InChI Key:
KLJVHAGCXLYLGJ-UHFFFAOYSA-N
SMILES:
ON1C(=S)OC2(C1=O)CCCCC2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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