| CAS Number | 39811-83-1 |
| Catalog Number | AG01ALER |
| Chemical Name | Methyl 2-Methyl-1-Benzofuran-3-Carboxylate |
| IUPAC Name | methyl 2-methyl-1-benzofuran-3-carboxylate |
| InChI | InChI=1S/C11H10O3/c1-7-10(11(12)13-2)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3 |
| InChI Key | GTGIHJQRQOLTCK-UHFFFAOYSA-N |
| MDL Number | MFCD22373169 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CC=1OC2=C(C1C(=O)OC)C=CC=C2 |
| Synonyms | methyl 2-methyl-1-benzofuran-3-carboxylate,
39811-83-1,
methyl 2-methylbenzofuran-3-carboxylate,
SCHEMBL18018241,
ZINC238323094,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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