| CAS Number | 101824-11-7 |
| Catalog Number | AG01BNDH(AGN-PC-0OQZ5N) |
| Chemical Name | 3-(Furan-2-yl)-3-hydroxypropanenitrile |
| IUPAC Name | 3-(furan-2-yl)-3-hydroxypropanenitrile |
| InChI | InChI=1S/C7H7NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5-6,9H,3H2 |
| InChI Key | UWLMUONZVXBOEP-UHFFFAOYSA-N |
| MDL Number | MFCD16300739 |
| Molecular Formula | C7H7NO2 |
| Molecular Weight | 137.136 |
| SMILES | N#CCC(C1=CC=CO1)O |
| Synonyms | 3-(furan-2-yl)-3-hydroxypropanenitrile,
101824-11-7,
2-Furanpropanenitrile, beta-hydroxy-,
SCHEMBL4456423,
beta-Hydroxy-2-furanpropanenitrile,
AKOS017517389,
3-(2-furyl)-3-hydroxy-propanenitrile,
CID10103228,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.138g/mol |
| Monoisotopic Mass | 137.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number