Ethyl 4-Methoxybenzofuran-6-carboxylate - CAS 831222-90-3
Catalog: |
BB036972 |
Product Name: |
Ethyl 4-Methoxybenzofuran-6-carboxylate |
CAS: |
831222-90-3 |
Synonyms: |
4-methoxy-6-benzofurancarboxylic acid ethyl ester; ethyl 4-methoxy-1-benzofuran-6-carboxylate |
IUPAC Name: | ethyl 4-methoxy-1-benzofuran-6-carboxylate |
Description: | Ethyl 4-Methoxybenzofuran-6-carboxylate (CAS# 831222-90-3 ) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(C=CO2)C(=C1)OC |
InChI: | InChI=1S/C12H12O4/c1-3-15-12(13)8-6-10(14-2)9-4-5-16-11(9)7-8/h4-7H,3H2,1-2H3 |
InChI Key: | BZDCWOTVJIMLPE-UHFFFAOYSA-N |
LogP: | 2.61810 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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