Methyl 2,4-bis(furan-2-yl)benzoate - CAS 1414029-43-8
Catalog: |
BB059693 |
Product Name: |
Methyl 2,4-bis(furan-2-yl)benzoate |
CAS: |
1414029-43-8 |
Synonyms: |
METHYL 2,4-BIS(FURAN-2-YL)BENZOATE; Methyl2,4-bis(furan-2-yl)benzoate |
IUPAC Name: | methyl 2,4-bis(furan-2-yl)benzoate |
Description: | Methyl 2,4-bis(furan-2-yl)benzoate |
Molecular Weight: | 268.26 |
Molecular Formula: | C16H12O4 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C2=CC=CO2)C3=CC=CO3 |
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 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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