| CAS Number | 1306763-24-5 |
| Catalog Number | AG000USK(AGN-PC-0WNH75) |
| Chemical Name | (1r)-1-hydroxy-2,3-dihydro-1h-indene-4-carbonitrile |
| IUPAC Name | (1R)-1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile |
| InChI | InChI=1S/C10H9NO/c11-6-7-2-1-3-9-8(7)4-5-10(9)12/h1-3,10,12H,4-5H2/t10-/m1/s1 |
| InChI Key | MEFZMTYUOQFQHF-SNVBAGLBSA-N |
| MDL Number | MFCD30749398 |
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.1846 |
| SMILES | O[C@@H]1CCC2=C1C=CC=C2C#N |
| Synonyms | (1R)-1-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile,
1306763-24-5,
SCHEMBL2196969,
MFCD30749398,
ZINC34307959,
KS-000008P0,
AS-54025,
CS-0053640,
1H-Indene-4-carbonitrile, 2,3-dihydro-1-hydroxy-, (1R)-,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.188g/mol |
| Monoisotopic Mass | 159.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number