| CAS Number | 1312077-05-6 |
| Catalog Number | AG009E4I(AGN-PC-0WOZJN) |
| Chemical Name | (3R)-2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one |
| IUPAC Name | (3R)-3-(prop-2-ynylamino)-2,3-dihydroinden-1-one |
| InChI | InChI=1S/C12H11NO/c1-2-7-13-11-8-12(14)10-6-4-3-5-9(10)11/h1,3-6,11,13H,7-8H2/t11-/m1/s1 |
| InChI Key | NMRXLQWLAGHNGU-LLVKDONJSA-N |
| MDL Number | MFCD29039357 |
| Molecular Formula | C12H11NO |
| Molecular Weight | 185.2218 |
| SMILES | O=C1C[C@@H](NCC#C)c2ccccc12 |
| Synonyms | SCHEMBL1986900,
1312077-05-6,
(3R)-2,3-Dihydro-3-(2-propyn-1-ylamino)-1H-inden-1-one,
(3R)-3-(prop-2-ynylamino)-2,3-dihydroinden-1-one,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.226g/mol |
| Monoisotopic Mass | 185.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number