| CAS Number | 104315-56-2 |
| Catalog Number | AG00HABW(AGN-PC-00N1AH) |
| Chemical Name | 3-Methoxy-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 3-methoxy-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H8O4/c1-13-8-6-4-2-3-5-7(6)14-9(8)10(11)12/h2-5H,1H3,(H,11,12) |
| InChI Key | MZOCFIBSONGMJF-UHFFFAOYSA-N |
| MDL Number | MFCD14280955 |
| Molecular Formula | C10H8O4 |
| Molecular Weight | 192.1681 |
| SMILES | COC1C2=C(C=CC=C2)OC=1C(O)=O |
| Synonyms | 3-methoxy-1-benzofuran-2-carboxylic acid,
104315-56-2,
3-methoxybenzofuran-2-carboxylic acid,
SCHEMBL1760957,
MZOCFIBSONGMJF-UHFFFAOYSA-N,
methoxybenzofuran-2-carboxylic acid,
MFCD14280955,
ZINC32917253,
AKOS000265227,
NE47894,
2-Benzofurancarboxylic acid, 3-methoxy-,
AS-40399,
CS-0062559,
|
| 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 |
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Certificate of Analysis
Lot Number