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Home > Indoles and Oxindole > 1190311-29-5
1190311-29-5 | 2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-methyl-5-nitro-
CAS No: 1190311-29-5 Catalog No: AG000HHJ MDL No:
Product Description
Catalog Number:
AG000HHJ
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-3-methyl-5-nitro-
CAS Number:
1190311-29-5
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
IUPAC Name:
3-hydroxy-3-methyl-5-nitro-1H-indol-2-one
InChI:
InChI=1S/C9H8N2O4/c1-9(13)6-4-5(11(14)15)2-3-7(6)10-8(9)12/h2-4,13H,1H3,(H,10,12)
InChI Key:
TWJGCWSKMIFLCU-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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