93-17-4
Product Name:
(3,4-Dimethoxyphenyl)acetonitrile
Formula:
C10H11NO2
Synonyms:
(3,4-Dimethoxyphenyl)acetonitrile;3,4-Dimethoxybenzylcyanide;Homoveratronitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Light yellow crystalline solid; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 177.20 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 177.078978594 g/mol |
| Monoisotopic Mass | 177.078978594 g/mol |
| Topological Polar Surface Area | 42.2 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 196 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |