| CAS Number | 29735-85-1 |
| Catalog Number | AG01CA9F(AGN-PC-0I0J5H) |
| Chemical Name | 5-Hydroxy-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 5-hydroxy-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H,(H,11,12) |
| InChI Key | GWWDURABERRAPL-UHFFFAOYSA-N |
| MDL Number | MFCD15144229 |
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.1415 |
| SMILES | OC=1C=CC2=C(C(=CO2)C(=O)O)C1 |
| Synonyms | 29735-85-1,
5-hydroxy-1-benzofuran-3-carboxylic acid,
3-Benzofurancarboxylic acid, 5-hydroxy-,
3-carboxy-5-hydroxybenzofuran,
SCHEMBL3377499,
GWWDURABERRAPL-UHFFFAOYSA-N,
AKOS022910293,
3-Benzofurancarboxylicacid,5-hydroxy-,
5-hydroxybenzofuran-3-carboxylic acid,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number