| CAS Number | 476415-60-8 |
| Catalog Number | AG00DD7M(AGN-PC-0099XP) |
| Chemical Name | 2-(Tetrahydrofuran-3-yl)acetonitrile |
| IUPAC Name | 2-(oxolan-3-yl)acetonitrile |
| InChI | InChI=1S/C6H9NO/c7-3-1-6-2-4-8-5-6/h6H,1-2,4-5H2 |
| InChI Key | RWNLNUQZBGAUKN-UHFFFAOYSA-N |
| MDL Number | MFCD14691568 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | N#CCC1CCOC1 |
| Synonyms | 476415-60-8,
2-(Tetrahydrofuran-3-yl)acetonitrile,
tetrahydro-3-furanylacetonitrile,
2-(oxolan-3-yl)acetonitrile,
SCHEMBL2262954,
Tetrahydrofuran-3-ylacetonitrile,
3-Furanacetonitrile, tetrahydro-,
RWNLNUQZBGAUKN-UHFFFAOYSA-N,
rac-tetrahydrofuran-3-ylacetonitrile,
MFCD14691568,
AKOS010819359,
FS-5778,
DA-05608,
tetrahydro-3-furanylacetonitrile(SALTDATA,
FT-0721350,
Y-7492,
CID11446305,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number