| CAS Number | 58468-43-2 |
| Catalog Number | AG019X62(AGN-PC-03BKCT) |
| Chemical Name | 6-Methoxy-3-phenyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 6-methoxy-3-phenyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C16H12O4/c1-19-11-7-8-12-13(9-11)20-15(16(17)18)14(12)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,18) |
| InChI Key | WYPUYIYDYBZQBA-UHFFFAOYSA-N |
| MDL Number | MFCD13196014 |
| Molecular Formula | C16H12O4 |
| Molecular Weight | 268.2641 |
| SMILES | COC1=CC2=C(C=C1)C(=C(O2)C(=O)O)C3=CC=CC=C3 |
| Synonyms | 6-methoxy-3-phenyl-1-benzofuran-2-carboxylic acid,
58468-43-2,
SCHEMBL11738140,
CTK7A8495,
ZINC38342275,
AKOS034603858,
MCULE-6282869752,
NE39597,
EN300-54146,
Z815264044,
AC1Q4EQN,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.073559g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.26g/mol |
| Monoisotopic Mass | 268.073559g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number