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Home > Indoles and Oxindole > 76983-82-9
76983-82-9 | 3H-Indol-3-one, oxime
CAS No: 76983-82-9 Catalog No: AG005F98 MDL No:
Product Description
Catalog Number:
AG005F98
Chemical Name:
3H-Indol-3-one, oxime
CAS Number:
76983-82-9
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
3-nitroso-1H-indole
InChI:
InChI=1S/C8H6N2O/c11-10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H
InChI Key:
GJBZGJVTIMEFIA-UHFFFAOYSA-N
SMILES:
ON=C1C=Nc2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Reactions of indoles with nitrogen dioxide and nitrous acid in an aprotic solvent. | Organic & biomolecular chemistry 20060907 |
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