| CAS Number | 889108-48-9 |
| Catalog Number | AG01BTYM(AGN-PC-0WOJY4) |
| Chemical Name | 5-Ethynyl-1H-indole |
| IUPAC Name | 5-ethynyl-1H-indole |
| InChI | InChI=1S/C10H7N/c1-2-8-3-4-10-9(7-8)5-6-11-10/h1,3-7,11H |
| InChI Key | YVQWQKBEBCPNMH-UHFFFAOYSA-N |
| MDL Number | MFCD11655760 |
| Molecular Formula | C10H7N |
| Molecular Weight | 141.1693 |
| SMILES | C(#C)C=1C=C2C=CNC2=CC1 |
| Synonyms | 5-ETHYNYL-1H-INDOLE,
889108-48-9,
1H-Indole,5-ethynyl-,
5-Ethynylindole,
SCHEMBL1022937,
YVQWQKBEBCPNMH-UHFFFAOYSA-N,
MFCD11655760,
ZINC36533571,
AKOS006344029,
AB64484,
F2147-2800,
Z2768769245,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.173g/mol |
| Monoisotopic Mass | 141.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number