| CAS Number | 1414029-43-8 |
| Catalog Number | AG009WT3(AGN-PC-0WADQC) |
| Chemical Name | Methyl 2,4-bis(furan-2-yl)benzoate |
| IUPAC Name | methyl 2,4-bis(furan-2-yl)benzoate |
| InChI | InChI=1S/C16H12O4/c1-18-16(17)12-7-6-11(14-4-2-8-19-14)10-13(12)15-5-3-9-20-15/h2-10H,1H3 |
| InChI Key | WWKOYSQLHUVEKP-UHFFFAOYSA-N |
| MDL Number | MFCD22574956 |
| Molecular Formula | C16H12O4 |
| Molecular Weight | 268.2641 |
| SMILES | COC(=O)c1ccc(cc1c1ccco1)c1ccco1 |
| Synonyms | METHYL 2,4-BIS(FURAN-2-YL)BENZOATE,
1414029-43-8,
KM4052,
ZINC95218063,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.268g/mol |
| Monoisotopic Mass | 268.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number