2-Benzofurancarboxylic acid ethyl ester

C₁₁H₁₀O₃CAS 3199-61-9190.20 g/mol

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Properties

Molecular formula: C₁₁H₁₀O₃
Molar mass: 190.20 g/mol
Exact mass: 190.0630 Da
logP: 2.61Crippen estimate
Polar surface area: 39.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3199-61-9

SMILES

CCOC(=O)C1=CC2=CC=CC=C2O1

InChIKey

KAWQPOUWLVOHKU-UHFFFAOYSA-N

InChI

InChI=1S/C11H10O3/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3

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Names and synonyms

1 names

Ethyl 1-benzofuran-2-carboxylate

Work with 2-Benzofurancarboxylic acid ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5-aminobenzofuran-2-carboxylate174775-48-567 % similar 3-Carbethoxycoumarin1846-76-067 % similar Ethyl(5-bromobenzofuran)-2-carboxylate84102-69-267 % similar Ethyl 7-methoxy-1-benzofuran-2-carboxylate50551-58-160 % similar Ethyl 5-nitrobenzofuran-2-carboxylate69604-00-860 % similar Diethyl 2,5-furandicarboxylate53662-83-258 % similar Diethyl phthalate84-66-256 % similar 2-Acetylbenzofuran1646-26-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid20972-36-5 7-Methoxy-4-methylcoumarin2555-28-4 7-Ethoxycoumarin31005-02-4 Heliotropyl acetone3160-37-0 4-Ethoxycoumarin35817-27-7 1-(7-Methoxy-2-benzofuranyl)ethanone43071-52-9 6-Methoxy-4-methylcoumarin6295-35-8 Methyl 3-(4-formylphenyl)-2-propenoate7560-50-1

Elsewhere

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