Methyl 6-methoxybenzofuran-2-carboxylate

HCID 3016964CAS 55364-67-5

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Basic information

Standard SMILES: COC(=O)c1cc2ccc(OC)cc2o1
InChIKey: XSWDPIQGBIWAPT-UHFFFAOYSA-N
Molecular formula: C11H10O4
Average molar mass: 206.19 g/mol
Monoisotopic mass: 206.0579088

Names & identifiers

Preferred name: Methyl 6-methoxybenzofuran-2-carboxylate
IUPAC: methyl 6-methoxy-1-benzofuran-2-carboxylate
English name: methyl 6-methoxy-2-benzofurancarboxylate
Molecular formula: C11H10O4
Molecular weight: 206.19

Names & synonyms

methyl 6-methoxybenzofuran-2-carboxylate55364-67-5methyl 6-methoxy-1-benzofuran-2-carboxylateMethyl 6-methoxy-2-benzofurancarboxylateMFCD119750702-Benzofurancarboxylic acid, 6-methoxy-, methyl esterEINECS 259-614-4Methyl6-Methoxybenzofuran-2-carboxylateSCHEMBL4450673DTXSID20203910Methyl6-Methoxybenzofuran-2-carboxAKOS022183685

Show more names

6-Methoxybenzofuran-2-carboxylic acid methyl ester6-Methoxy-2-benzofurancarboxylic acid methyl ester

AS-32451BP-20058DA-04926methyl 6-methoxy-benzofuran-2-carboxylateSY029238CS-0453728NS00058395EN300-784965

Database identifiers

CAS: 55364-67-5
PubChem CID: 3016964
DTXSID: DTXSID20203910
EC Number: 259-614-4
Nikkaji: J266.983H

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 48.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 94.2 · 94.2-95.2 °C(Solv: water (7732-18-5); methanol (67-56-1))
Boiling point: 301.4 · 301.4±22.0 °C(Predicted)
Density: 1.225 · 1.225±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338