| CAS Number | 929973-81-9 |
| Catalog Number | AG019KKX(AGN-PC-0WOB25) |
| Chemical Name | 3-(2-Furyl)-2-(hydroxymethyl)propanenitrile |
| IUPAC Name | 2-(furan-2-ylmethyl)-3-hydroxypropanenitrile |
| InChI | InChI=1S/C8H9NO2/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2 |
| InChI Key | JXCHQORAJGXTOX-UHFFFAOYSA-N |
| MDL Number | MFCD09040589 |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.1626 |
| SMILES | OCC(C#N)CC1OC=CC=1 |
| Synonyms | 2-(furan-2-ylmethyl)-3-hydroxypropanenitrile,
929973-81-9,
3-(2-furyl)-2-(hydroxymethyl)propanenitrile,
AC1Q7BKE,
CTK8A1607,
AKOS005218409,
MCULE-8405672760,
NE52066,
EN300-27350,
2-[(furan-2-yl)methyl]-3-hydroxypropanenitrile,
Z1245735209,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.165g/mol |
| Monoisotopic Mass | 151.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number