| CAS Number | 955885-04-8 |
| Catalog Number | AG003A20(AGN-PC-0WNVB6) |
| Chemical Name | methyl 6-methoxy-1-benzofuran-4-carboxylate |
| IUPAC Name | methyl 6-methoxy-1-benzofuran-4-carboxylate |
| InChI | InChI=1S/C11H10O4/c1-13-7-5-9(11(12)14-2)8-3-4-15-10(8)6-7/h3-6H,1-2H3 |
| InChI Key | QCFMBRXXXTWNGL-UHFFFAOYSA-N |
| MDL Number | MFCD23705146 |
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.1947 |
| SMILES | COC=1C=C2C(C=CO2)=C(C1)C(=O)OC |
| Synonyms | 4-Benzofurancarboxylic acid, 6-methoxy-, methyl ester,
955885-04-8,
methyl 6-methoxybenzofuran-4-carboxylate,
SCHEMBL643634,
QCFMBRXXXTWNGL-UHFFFAOYSA-N,
6-Methoxy-benzofuran-4-carboxylic acid methyl ester,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.197g/mol |
| Monoisotopic Mass | 206.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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