| CAS Number | 1646-28-2 |
| Catalog Number | AG001UZB(AGN-PC-0NI36A) |
| Chemical Name | Methyl 5-hydroxy-1-benzofuran-2-carboxylate |
| IUPAC Name | methyl 5-hydroxy-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C10H8O4/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5,11H,1H3 |
| InChI Key | KPSJSEXMKPMEAM-UHFFFAOYSA-N |
| MDL Number | MFCD13192384 |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.1681 |
| SMILES | COC(=O)C1=CC2=CC(O)=CC=C2O1 |
| Synonyms | 1646-28-2,
Methyl 5-hydroxybenzofuran-2-carboxylate,
2-Benzofurancarboxylic acid, 5-hydroxy-, methyl ester,
Methyl 5-hydroxy-1-benzofuran-2-carboxylate,
5-Hydroxy-benzofuran-2-carboxylic acid methyl ester,
5-hydroxybenzofuran-2-carboxylic acid methyl ester,
SCHEMBL445684,
CTK0A9122,
DTXSID40480529,
KPSJSEXMKPMEAM-UHFFFAOYSA-N,
2-carbomethoxy-5-hydroxy-benzofuran,
MFCD18071965,
ZINC38888223,
AJ-97100,
AS-53607,
Methyl 5-hydroxy-1-benzo[b]furan-2-carboxylate,
5-Hydroxy-2-benzofurancarboxylic acid methyl ester,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.17g/mol |
| Monoisotopic Mass | 192.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number