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Home > Indoles and Oxindole > 893737-66-1
893737-66-1 | 5-(5-Pyrimidinyl)-1H-indole-2,3-dione
CAS No: 893737-66-1 Catalog No: AG01EYOB MDL No:
Product Description
Catalog Number:
AG01EYOB
Chemical Name:
5-(5-Pyrimidinyl)-1H-indole-2,3-dione
CAS Number:
893737-66-1
Molecular Formula:
C12H7N3O2
Molecular Weight:
225.2029
IUPAC Name:
5-pyrimidin-5-yl-1H-indole-2,3-dione
InChI:
InChI=1S/C12H7N3O2/c16-11-9-3-7(8-4-13-6-14-5-8)1-2-10(9)15-12(11)17/h1-6H,(H,15,16,17)
InChI Key:
XVWYTLFARYQPIS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)c1cncnc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.054g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.207g/mol
Monoisotopic Mass:
225.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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