| CAS Number | 75258-11-6 |
| Catalog Number | AG01FQCE(AGN-PC-0NJH9B) |
| Chemical Name | 2-Ethynyl-1H-indole |
| IUPAC Name | 2-ethynyl-1H-indole |
| InChI | InChI=1S/C10H7N/c1-2-9-7-8-5-3-4-6-10(8)11-9/h1,3-7,11H |
| InChI Key | VYWBXQOYASJNLB-UHFFFAOYSA-N |
| MDL Number | MFCD18207408 |
| Molecular Formula | C10H7N |
| Molecular Weight | 141.1693 |
| SMILES | C#Cc1cc2c([nH]1)cccc2 |
| Synonyms | 1H-Indole, 2-ethynyl-,
ethynylindole,
2-Ethynyl-1H-indole,
SCHEMBL597869,
75258-11-6,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.057849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.057849g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number