Methyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-benzofuran-3-carboxylate
Basic information
- CAS
300557-34-0- Standard SMILES
COC(=O)c1c(C)oc2ccc(OC(=O)C(C)C)cc12- InChIKey
FLSFUJWMRNCXAZ-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- Methyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-benzofuran-3-carboxylate
- IUPAC
- methyl 2-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate
Names & synonyms
300557-34-0methyl 2-methyl-5-[(2-methylpropanoyl)oxy]-1-benzofuran-3-carboxylatemethyl 5-(isobutyryloxy)-2-methylbenzofuran-3-carboxylatemethyl 5-(isobutyryloxy)-2-methyl-1-benzofuran-3-carboxylateOprea1_761637F0308-0497HMS5088C18methyl 2-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylateSTK887817AKOS001616323EU-0074189ST50038262
Show more names
SR-01000456786SR-01000456786-1Z2752558363-(methoxycarbonyl)-2-methylbenzo[b]furan-5-yl 2-methylpropanoate
Database identifiers
- CAS
300557-34-0- PubChem CID
- 854556
- EC Number
- 166-245-1
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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