| CAS Number | 23455-49-4 |
| Catalog Number | AG00BHMR(AGN-PC-00Z97U) |
| Chemical Name | 5-Methoxybenzo[b]furan-3-carboxylic acid |
| IUPAC Name | 5-methoxy-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C10H8O4/c1-13-6-2-3-9-7(4-6)8(5-14-9)10(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | YQUJKKPVLBKITF-UHFFFAOYSA-N |
| MDL Number | MFCD06643856 |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.1681 |
| SMILES | COC1=CC2=C(OC=C2C(=O)O)C=C1 |
| Synonyms | 23455-49-4,
5-METHOXY-1-BENZOFURAN-3-CARBOXYLIC ACID,
5-methoxybenzo[b]furan-3-carboxylic acid,
5-methoxybenzofuran-3-carboxylic acid,
3-carboxy-5-methoxybenzofuran,
SCHEMBL3375297,
YQUJKKPVLBKITF-UHFFFAOYSA-N,
ZINC11666535,
AKOS002235855,
AB25391,
3-Benzofurancarboxylic acid, 5-methoxy-,
3-benzo[b]furancarboxylic acid,5-methoxy-,
ST50114886,
Z1983079741,
5-methoxy-benzofuran-3-carboxylic acid,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number