Ethyl 5-Hydroxy-2-methylbenzofuran-3-carboxylate - CAS 7287-40-3
Catalog: |
BB034713 |
Product Name: |
Ethyl 5-Hydroxy-2-methylbenzofuran-3-carboxylate |
CAS: |
7287-40-3 |
Synonyms: |
5-hydroxy-2-methyl-3-benzofurancarboxylic acid ethyl ester; ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate |
IUPAC Name: | ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate |
Description: | Ethyl 5-Hydroxy-2-methylbenzofuran-3-carboxylate (CAS# 7287-40-3) is a useful research chemical. It is used in efficient benzodifuran based ruthenium sensitizers for thin-film DSSCs. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C |
InChI: | InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3 |
InChI Key: | KSNVFCJUBJUTPF-UHFFFAOYSA-N |
MDL: | MFCD00023001 |
LogP: | 2.62350 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1144415-A2 | Functionalized heterocycles as chemokine receptor modulators | 19990113 |
WO-0042045-A2 | Functionalized heterocycles as chemokine receptor modulators | 19990113 |
GB-1390115-A | Benzofuran derivatives as plant growth regulants | 19720809 |
US-3873716-A | Insecticidal esters of chrysanthemic acid and alcohols related to 3-hydroxymethylbenzofuran | 19710301 |
GB-1310235-A | Heterocyclyloxymethyl-morpholine or piperazine-derivatives | 19691117 |
PMID | Publication Date | Title | Journal |
19272775 | 20090401 | Synthesis, discovery and preliminary SAR study of benzofuran derivatives as angiogenesis inhibitors | Bioorganic & medicinal chemistry letters |
Complexity: | 266 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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