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127815-07-0 | 2,4-Imidazolidinedione, 5-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CAS No: 127815-07-0 Catalog No: AG000XFK MDL No:
Product Description
Catalog Number:
AG000XFK
Chemical Name:
2,4-Imidazolidinedione, 5-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
CAS Number:
127815-07-0
Molecular Formula:
C11H7N3O3
Molecular Weight:
229.1916
IUPAC Name:
3-(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)indol-2-one
InChI:
InChI=1S/C11H7N3O3/c15-9-7(8-10(16)14-11(17)13-8)5-3-1-2-4-6(5)12-9/h1-4,16H,(H2,13,14,17)
InChI Key:
RTQNWGNTTJPAQH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C2C(=O)Nc3c2cccc3)N1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.049g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.195g/mol
Monoisotopic Mass:
229.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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