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Home > Other Heterocycles > 1588440-97-4
1588440-97-4 | 2,6-Diazaspiro[3.4]octan-7-one, ethanedioate (1:1)
CAS No: 1588440-97-4 Catalog No: AG001QWU MDL No:MFCD27923647
Product Description
Catalog Number:
AG001QWU
Chemical Name:
2,6-Diazaspiro[3.4]octan-7-one, ethanedioate (1:1)
CAS Number:
1588440-97-4
Molecular Formula:
C8H12N2O5
Molecular Weight:
216.1913
MDL Number:
MFCD27923647
IUPAC Name:
2,6-diazaspiro[3.4]octan-7-one;oxalic acid
InChI:
InChI=1S/C6H10N2O.C2H2O4/c9-5-1-6(4-8-5)2-7-3-6;3-1(4)2(5)6/h7H,1-4H2,(H,8,9);(H,3,4)(H,5,6)
InChI Key:
PRWNGIQBMCOERR-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.O=C1NCC2(C1)CNC2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
216.193g/mol
Monoisotopic Mass:
216.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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