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18553-69-0 | 2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS No: 18553-69-0 Catalog No: AG0076SK MDL No:
Product Description
Catalog Number:
AG0076SK
Chemical Name:
2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS Number:
18553-69-0
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
2,4-diazaspiro[5.5]undec-9-ene-1,3,5-trione
InChI:
InChI=1S/C9H10N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-2H,3-5H2,(H2,10,11,12,13,14)
InChI Key:
BUIPICWRVHFFRW-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C(=O)N1)CCC=CC2
NSC Number:
137434
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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