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116081-74-4 | 1H-Indole-2,3-dione, 6-amino-
CAS No: 116081-74-4 Catalog No: AG000BKY MDL No:
Product Description
Catalog Number:
AG000BKY
Chemical Name:
1H-Indole-2,3-dione, 6-amino-
CAS Number:
116081-74-4
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
IUPAC Name:
6-amino-1H-indole-2,3-dione
InChI:
InChI=1S/C8H6N2O2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,9H2,(H,10,11,12)
InChI Key:
NAZUFMFAUQMVSJ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)NC(=O)C2=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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