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Home > Other Heterocycles > 1026796-16-6
1026796-16-6 | 2,5,7-triazaspiro[3.4]octane-6,8-dione
CAS No: 1026796-16-6 Catalog No: AG01BK58 MDL No:MFCD22372522
Product Description
Catalog Number:
AG01BK58
Chemical Name:
2,5,7-triazaspiro[3.4]octane-6,8-dione
CAS Number:
1026796-16-6
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD22372522
IUPAC Name:
2,5,7-triazaspiro[3.4]octane-6,8-dione
InChI:
InChI=1S/C5H7N3O2/c9-3-5(1-6-2-5)8-4(10)7-3/h6H,1-2H2,(H2,7,8,9,10)
InChI Key:
LHNBZDSWNHROMZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)NC21CNC2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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