| CAS Number | 1146290-35-8 |
| Catalog Number | AG019V28(AGN-PC-0WORNO) |
| Chemical Name | 2-Hydroxy-1H-indole-3-carbonitrile |
| IUPAC Name | 2-hydroxy-1H-indole-3-carbonitrile |
| InChI | InChI=1S/C9H6N2O/c10-5-7-6-3-1-2-4-8(6)11-9(7)12/h1-4,11-12H |
| InChI Key | ZCIPJYDSOBAXDS-UHFFFAOYSA-N |
| MDL Number | MFCD11858094 |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.1567 |
| SMILES | OC1=C(C#N)C2=C(C=CC=C2)N1 |
| Synonyms | 2-hydroxy-1H-indole-3-carbonitrile,
1146290-35-8,
AC1Q781Q,
CTK7C6763,
AKOS026741894,
MCULE-6785321640,
NE15335,
EN300-43511,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.16g/mol |
| Monoisotopic Mass | 158.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number