| CAS Number | 203626-45-3 |
| Catalog Number | AG00I3U3(AGN-PC-0WQX5Z) |
| Chemical Name | 3,4-Diacetoxybenzonitrile |
| IUPAC Name | (2-acetyloxy-4-cyanophenyl) acetate |
| InChI | InChI=1S/C11H9NO4/c1-7(13)15-10-4-3-9(6-12)5-11(10)16-8(2)14/h3-5H,1-2H3 |
| InChI Key | OYRIDYHXQXSNCH-UHFFFAOYSA-N |
| MDL Number | MFCD00017224 |
| Molecular Formula | C11H9NO4 |
| Molecular Weight | 219.1935 |
| SMILES | C1(C#N)C=CC(OC(=O)C)=C(OC(=O)C)C=1 |
| Synonyms | 3,4-DIACETOXYBENZONITRILE,
203626-45-3,
4-Cyano-1,2-phenylene diacetate,
3,4-(diacetoxy)benzonitrile,
SCHEMBL7067974,
CTK7C7569,
ZINC2566125,
MFCD00017224,
2-(ACETYLOXY)-5-CYANOPHENYL ACETATE,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.196g/mol |
| Monoisotopic Mass | 219.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number