| CAS Number | 906075-48-7 |
| Catalog Number | AG01A3PN(AGN-PC-0WOB90) |
| Chemical Name | 3-hydroxy-2-[(thiophen-2-yl)methyl]propanenitrile |
| IUPAC Name | 2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile |
| InChI | InChI=1S/C8H9NOS/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2 |
| InChI Key | VLGGRPUWGPUWSJ-UHFFFAOYSA-N |
| MDL Number | MFCD18294363 |
| Molecular Formula | C8H9NOS |
| Molecular Weight | 167.2282 |
| SMILES | OCC(C#N)CC1SC=CC=1 |
| Synonyms | 3-hydroxy-2-(thiophen-2-ylmethyl)propanenitrile,
906075-48-7,
3-Hydroxy-2-(2-thienylmethyl)propanenitrile,
SCHEMBL369059,
AKOS006176545,
MCULE-1515423765,
NE24107,
2-Hydroxymethyl-3-thiophen-2-yl-propionitrile,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.226g/mol |
| Monoisotopic Mass | 167.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number