| CAS Number | 1092350-96-3 |
| Catalog Number | AG00HBCC(AGN-PC-0WCY6B) |
| Chemical Name | 6-Hydroxy-1H-indole-2-carbonitrile |
| IUPAC Name | 6-hydroxy-1H-indole-2-carbonitrile |
| InChI | InChI=1S/C9H6N2O/c10-5-7-3-6-1-2-8(12)4-9(6)11-7/h1-4,11-12H |
| InChI Key | KKXFSKMEYLTTAH-UHFFFAOYSA-N |
| MDL Number | MFCD13191940 |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.1567 |
| SMILES | OC1=CC=C2C=C(NC2=C1)C#N |
| Synonyms | 6-HYDROXY-1H-INDOLE-2-CARBONITRILE,
1092350-96-3,
1H-Indole-2-carbonitrile, 6-hydroxy-,
SCHEMBL18292209,
DTXSID10857249,
MFCD13191940,
ZINC83269179,
FCH1167713,
AS-39084,
AB0079180,
AX8267026,
X-2731,
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| 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 | 1.7 |
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Certificate of Analysis
Lot Number