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Home > Indoles and Oxindole > 117782-96-4
117782-96-4 | 1H-Indole, 1-nitroso-
CAS No: 117782-96-4 Catalog No: AG0081FF MDL No:
Product Description
Catalog Number:
AG0081FF
Chemical Name:
1H-Indole, 1-nitroso-
CAS Number:
117782-96-4
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
1-nitrosoindole
InChI:
InChI=1S/C8H6N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-6H
InChI Key:
OWNZIVKKOPUAGJ-UHFFFAOYSA-N
SMILES:
O=Nn1ccc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| N-Nitroso products from the reaction of indoles with Angeli's salt. | Chemical research in toxicology 20060101 |
| Generation of peroxynitrite from reaction of N-acetyl-N-nitrosotryptophan with hydrogen peroxide over a wide range of pH values. | Organic & biomolecular chemistry 20050607 |
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