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Home > Indoles and Oxindole > 97672-08-7
97672-08-7 | 1-NITROSOINDOLE-3-ACETONITRILE
CAS No: 97672-08-7 Catalog No: AG006BFY MDL No:
Product Description
Catalog Number:
AG006BFY
Chemical Name:
1-NITROSOINDOLE-3-ACETONITRILE
CAS Number:
97672-08-7
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
2-(1-nitrosoindol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7N3O/c11-6-5-8-7-13(12-14)10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChI Key:
UOOUHGJOQYHONI-UHFFFAOYSA-N
SMILES:
N#CCc1cn(c2c1cccc2)N=O
UNII:
0S8432KS6R
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Induction of glandular stomach cancers in Helicobacter pylori-infected Mongolian gerbils by 1-nitrosoindole-3-acetonitrile. | International journal of cancer 20120115 |
| Characterization of DNA damage at purine residues in oligonucleotides and calf thymus DNA induced by the mutagen 1-nitrosoindole-3-acetonitrile. | Chemical research in toxicology 20010201 |
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