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Home > Other Heterocycles > 1501856-47-8
1501856-47-8 | 7-Thia-2-azaspiro[3.5]nonane, 7,7-dioxide, ethanedioate (2:1)
CAS No: 1501856-47-8 Catalog No: AG001MDO MDL No:MFCD26959144
Product Description
Catalog Number:
AG001MDO
Chemical Name:
7-Thia-2-azaspiro[3.5]nonane, 7,7-dioxide, ethanedioate (2:1)
CAS Number:
1501856-47-8
Molecular Formula:
C16H28N2O8S2
Molecular Weight:
440.5321
MDL Number:
MFCD26959144
IUPAC Name:
7λ6-thia-2-azaspiro[3.5]nonane 7,7-dioxide;oxalic acid
InChI:
InChI=1S/2C7H13NO2S.C2H2O4/c2*9-11(10)3-1-7(2-4-11)5-8-6-7;3-1(4)2(5)6/h2*8H,1-6H2;(H,3,4)(H,5,6)
InChI Key:
DWGQHMUWZNHLRA-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC2(CC1)CNC2.O=S1(=O)CCC2(CC1)CNC2.OC(=O)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.129g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
440.526g/mol
Monoisotopic Mass:
440.129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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