| CAS Number | 132203-26-0 |
| Catalog Number | AG01EMFD(AGN-PC-0PJOKE) |
| Chemical Name | (3S)-3-hydroxy-3-phenylpropanenitrile |
| IUPAC Name | (3S)-3-hydroxy-3-phenylpropanenitrile |
| InChI | InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2/t9-/m0/s1 |
| InChI Key | HILDHWAXSORHRZ-VIFPVBQESA-N |
| MDL Number | MFCD01862155 |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.1739 |
| SMILES | O[C@H](C1=CC=CC=C1)CC#N |
| Synonyms | (S)-3-hydroxy-3-phenylpropanenitrile,
(3S)-3-hydroxy-3-phenylpropanenitrile,
132203-26-0,
SCHEMBL1546681,
HILDHWAXSORHRZ-VIFPVBQESA-N,
ZINC5934403,
(S)-3-phenyl-3-hydroxypropionitrile,
(S)-beta-Hydroxybenzenepropanenitrile,
(S)-3-phenyl-3-hydroxypropanenitrile,
AJ-55247,
Hydracrylonitrile, 3-phenyl-,
CID11084031,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.177g/mol |
| Monoisotopic Mass | 147.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number