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Home > Indoles and Oxindole > 13208-96-3
13208-96-3 | 1H-Indole-2,3-dione, 7-methyl-, 3-oxime
CAS No: 13208-96-3 Catalog No: AG001069 MDL No:MFCD00456314
Product Description
Catalog Number:
AG001069
Chemical Name:
1H-Indole-2,3-dione, 7-methyl-, 3-oxime
CAS Number:
13208-96-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00456314
IUPAC Name:
7-methyl-3-nitroso-1H-indol-2-ol
InChI:
InChI=1S/C9H8N2O2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11-13/h2-4,10,12H,1H3
InChI Key:
UXIBRJCCFJQRKX-UHFFFAOYSA-N
SMILES:
ON=C1C(=O)Nc2c1cccc2C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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