| CAS Number | 1427502-44-0 |
| Catalog Number | AG00HWMH(AGN-PC-0WG36W) |
| Chemical Name | 4-Cyano-1H-indole-6-carboxylic acid |
| IUPAC Name | 4-cyano-1H-indole-6-carboxylic acid |
| InChI | InChI=1S/C10H6N2O2/c11-5-7-3-6(10(13)14)4-9-8(7)1-2-12-9/h1-4,12H,(H,13,14) |
| InChI Key | UEYYLWAXGUNAKY-UHFFFAOYSA-N |
| MDL Number | MFCD23704066 |
| Molecular Formula | C10H6N2O2 |
| Molecular Weight | 186.1668 |
| SMILES | N#CC1=C2C=CNC2=CC(C(O)=O)=C1 |
| Synonyms | 4-CYANO-1H-INDOLE-6-CARBOXYLIC ACID,
1427502-44-0,
MFCD23704066,
AKOS027252001,
AK200502,
DS-10234,
W-2211,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.17g/mol |
| Monoisotopic Mass | 186.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number