27613-27-0
Product Name:
3-Cyanophthalide
Formula:
C9H5NO2
Synonyms:
1,3-Dihydro-3-oxo-1-isobenzofurancarbonitrile;3-Cyano-3H-isobenzofuranone
Inquiry
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 159.14 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 159.032028402 g/mol |
| Monoisotopic Mass | 159.032028402 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 253 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |