| CAS Number | 19194-62-8 |
| Catalog Number | AG00ARXV(AGN-PC-0QKW4D) |
| Chemical Name | 1H-indole-3-carbonyl cyanide |
| IUPAC Name | 1H-indole-3-carbonyl cyanide |
| InChI | InChI=1S/C10H6N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H |
| InChI Key | YWKCWNQLRJKTBZ-UHFFFAOYSA-N |
| MDL Number | MFCD13183870 |
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.1674 |
| SMILES | N#CC(=O)c1c[nH]c2c1cccc2 |
| Synonyms | 1H-indole-3-carbonyl cyanide,
indole-3-carbonyl nitrile,
19194-62-8,
1H-Indole-3-acetonitrile, alpha-oxo-,
indole-3-carbonyl cyanide,
indolyl-3-carbonyl nitrile,
3-(Cyanocarbonyl)-1H-indole,
1H-indol-3-yl(oxo)acetonitrile,
SCHEMBL10466726,
CHEBI:142139,
1H-Indole-3-acetonitrile, a-oxo-,
a-oxo-1H-Indole-3-acetonitrile,
CID11355722,
2-(1H-indol-3-yl)-2-oxo-acetonitrile,
ICN,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.171g/mol |
| Monoisotopic Mass | 170.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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