6018-41-3
Product Name:
Methyl coumalate
Formula:
C7H6O4
Synonyms:
Methyl 2-oxo-2H-pyran-5-carboxylate;Methyl 2-pyrone-5-carboxylate
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P363:Wash contaminated clothing before reuse. P302+P352:IF ON SKIN: wash with plenty of soap and water. P308+P313:IF exposed or concerned: Get medical advice/attention. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
| Molecular Weight | 154.12 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 154.02660867 g/mol |
| Monoisotopic Mass | 154.02660867 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 249 |
| 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 |