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Inherent Properties, Identifiers and References
ChemSpider ID: 312357
Empirical Formula: C10H8N2
Molecular Weight: 156.1839
Nominal Mass: 156 Da
Average Mass: 156.1839 Da
Monoisotopic Mass: 156.068748 Da
Systematic Name: 1H-indol-3-ylacetonitrile
SMILES: N#CCc2c1ccccc1nc2 Copy
InChI: InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 Copy
InChIKey: DMCPFOBLJMLSNX-UHFFFAOYAK
Std. InChI: InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2 Copy
Std. InChIKey: DMCPFOBLJMLSNX-UHFFFAOYSA-N
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Predicted Properties
SimBioSys LASSO