| CAS Number | 1155140-22-9 |
| Catalog Number | AG01A4BO(AGN-PC-0WO5YK) |
| Chemical Name | 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxopropanenitrile |
| IUPAC Name | 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxopropanenitrile |
| InChI | InChI=1S/C11H9NO3/c12-5-4-9(13)8-2-1-3-10-11(8)15-7-6-14-10/h1-3H,4,6-7H2 |
| InChI Key | DOTZGDJJMFXCHD-UHFFFAOYSA-N |
| MDL Number | MFCD12090253 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | O=C(C1=C2C(OCCO2)=CC=C1)CC#N |
| Synonyms | 3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxopropanenitrile,
1155140-22-9,
ZINC36330581,
AKOS009807779,
FCH4675716,
NE27368,
BBV-27039962,
EN300-125135,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number