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Home > Other Heterocycles > 1392804-12-4
1392804-12-4 | 6-thia-1-azaspiro[3.3]heptane, 6,6-dioxide, ethanedioate (1:1)
CAS No: 1392804-12-4 Catalog No: AG001AN8 MDL No:MFCD23106142
Product Description
Catalog Number:
AG001AN8
Chemical Name:
6-thia-1-azaspiro[3.3]heptane, 6,6-dioxide, ethanedioate (1:1)
CAS Number:
1392804-12-4
Molecular Formula:
C7H11NO6S
Molecular Weight:
237.2303
MDL Number:
MFCD23106142
IUPAC Name:
6λ6-thia-1-azaspiro[3.3]heptane 6,6-dioxide;oxalic acid
InChI:
InChI=1S/C5H9NO2S.C2H2O4/c7-9(8)3-5(4-9)1-2-6-5;3-1(4)2(5)6/h6H,1-4H2;(H,3,4)(H,5,6)
InChI Key:
AKFMMYCPJWBURC-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2(C1)CCN2.OC(=O)C(=O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.226g/mol
Monoisotopic Mass:
237.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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