| CAS Number | 53269-35-5 |
| Catalog Number | AG0039H4(AGN-PC-0000A2) |
| Chemical Name | 3-Formyl-1H-indole-4-carbonitrile |
| IUPAC Name | 3-formyl-1H-indole-4-carbonitrile |
| InChI | InChI=1S/C10H6N2O/c11-4-7-2-1-3-9-10(7)8(6-13)5-12-9/h1-3,5-6,12H |
| InChI Key | UEKTZTWPXLKXBB-UHFFFAOYSA-N |
| MDL Number | MFCD06657154 |
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.1674 |
| SMILES | C(=O)C1=CNC=2C=CC=C(C12)C#N |
| Synonyms | 3-formyl-1H-indole-4-carbonitrile,
53269-35-5,
4-Cyanoindole-3-carboxaldehyde,
4-Cyanoindole-3-carbaldehyde,
1H-Indole-4-carbonitrile, 3-formyl-,
SCHEMBL11761255,
BBL030586,
MFCD06657154,
STL249665,
ZINC34200412,
AKOS006230134,
MCULE-2159876639,
cc-711,
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| Complexity | 255 |
| 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 | 1.2 |
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Certificate of Analysis
Lot Number