| CAS Number | 115693-71-5 |
| Catalog Number | AG01AIDF(AGN-PC-00OFMF) |
| Chemical Name | 6-HYDROXYBENZOFURAN-3-CARBOXYLIC ACID |
| IUPAC Name | 6-hydroxy-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H6O4/c10-5-1-2-6-7(9(11)12)4-13-8(6)3-5/h1-4,10H,(H,11,12) |
| InChI Key | QAOIAZYIBZFHKD-UHFFFAOYSA-N |
| MDL Number | MFCD15144171 |
| Molecular Formula | C9H6O4 |
| Molecular Weight | 178.1415 |
| SMILES | OC(C1C2=C(C=C(C=C2)O)OC=1)=O |
| Synonyms | 115693-71-5,
6-hydroxy-1-benzofuran-3-carboxylic acid,
6-Hydroxybenzofuran-3-carboxylic acid,
SCHEMBL204082,
QAOIAZYIBZFHKD-UHFFFAOYSA-N,
ZINC75568154,
AKOS022639813,
FT-0745199,
(6-hydroxy-1-benzofuran-3-yl)carboxylic acid,
Z2805897452,
6-hydroxy-3-Benzofurancarboxylic 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