| CAS Number | 889942-85-2 |
| Catalog Number | AG00GV2R(AGN-PC-0NP8PZ) |
| Chemical Name | 3-Cyano-1H-indole-4-carboxylic acid |
| IUPAC Name | 3-cyano-1H-indole-4-carboxylic acid |
| InChI | InChI=1S/C10H6N2O2/c11-4-6-5-12-8-3-1-2-7(9(6)8)10(13)14/h1-3,5,12H,(H,13,14) |
| InChI Key | PWVNJBVXUPJABL-UHFFFAOYSA-N |
| MDL Number | MFCD07776626 |
| Molecular Formula | C10H6N2O2 |
| Molecular Weight | 186.1668 |
| SMILES | OC(C1=C2C(NC=C2C#N)=CC=C1)=O |
| Synonyms | 3-Cyano-1H-indole-4-carboxylic acid,
889942-85-2,
3-Cyanoindole-4-carboxylic acid,
CTK7C6928,
DTXSID50652997,
4675AC,
ANW-68493,
FCH856790,
MFCD07776626,
ZINC26895400,
AKOS006284149,
AJ-82956,
DA-17812,
AX8238481,
TC-157238,
FT-0720545,
C50031,
C10H6N2O2,
3-Cyano-1H-indole-4-carboxylicacid,
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| 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 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number