| CAS Number | 487-56-9 |
| Catalog Number | AG00I8T0(AGN-PC-0OAW0E) |
| Chemical Name | 5-Benzofurancarboxylic acid, 4-hydroxy- |
| IUPAC Name | 4-hydroxy-1-benzofuran-5-carboxylic acid |
| InChI | InChI=1S/C9H6O4/c10-8-5-3-4-13-7(5)2-1-6(8)9(11)12/h1-4,10H,(H,11,12) |
| InChI Key | UCRGNGLRQIWOTB-UHFFFAOYSA-N |
| MDL Number | MFCD15144246 |
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.1415 |
| SMILES | c1cc2c(cco2)c(c1C(=O)O)O |
| Synonyms | 4-Hydroxybenzofuran-5-carboxylic acid,
487-56-9,
MFCD15144246,
ZINC14443344,
4-hydroxy-5-benzofurancarboxylic acid,
5-Benzofurancarboxylic acid, 4-hydroxy-,
CS-0038619,
4-HYDROXY-1-BENZOFURAN-5-CARBOXYLIC ACID,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.143g/mol |
| Monoisotopic Mass | 178.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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