| CAS Number | 36798-23-9 |
| Catalog Number | AG019VYV |
| Chemical Name | 2,3-dimethyl-1H-indole-5-carbonitrile |
| IUPAC Name | 2,3-dimethyl-1H-indole-5-carbonitrile |
| InChI | InChI=1S/C11H10N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,1-2H3 |
| InChI Key | MAQQEXCJSLDJFC-UHFFFAOYSA-N |
| MDL Number | MFCD12402554 |
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.2105 |
| SMILES | CC1=C(NC2=C1C=C(C=C2)C#N)C |
| Synonyms | 2,3-dimethyl-1H-indole-5-carbonitrile,
36798-23-9,
AC1Q2E1I,
CTK7C8314,
ZINC36379574,
AKOS005135873,
MCULE-8329422847,
NE19698,
EN300-49912,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.215g/mol |
| Monoisotopic Mass | 170.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 39.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number