3-Methylbenzofuran-2-carboxylic acid ethyl ester

C₁₂H₁₂O₃CAS 22367-82-4204.22 g/mol

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Properties

Molecular formula: C₁₂H₁₂O₃
Molar mass: 204.22 g/mol
Exact mass: 204.0786 Da
logP: 2.92Crippen 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

22367-82-4

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C

InChIKey

FBWZJJPGVQYUIN-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O3/c1-3-14-12(13)11-8(2)9-6-4-5-7-10(9)15-11/h4-7H,3H2,1-2H3

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Names and synonyms

1 names

Ethyl 3-methyl-1-benzofuran-2-carboxylate

Work with 3-Methylbenzofuran-2-carboxylic 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 3-aminobenzofuran-2-carboxylate39786-35-169 % similar 3-Methyl-1-benzofuran-2-carboxylic acid24673-56-155 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-951 % similar Diethyl phthalate84-66-249 % similar Ethyl 1-naphthalenecarboxylate3007-97-448 % similar Diethyl 2,5-furandicarboxylate53662-83-248 % similar Ethyl benzoate93-89-048 % similar 3-Carbethoxycoumarin1846-76-047 % similar

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

Same formula

Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-8 Ethyl (2E)-4-oxo-4-phenyl-2-butenoate17450-56-5 Benzyl 3-oxocyclobutanecarboxylate198995-91-4 4-tert-Butylphthalic anhydride32703-79-0 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-8 (βS)-4-Hydroxy-β-1-propyn-1-ylbenzenepropanoic acid865233-35-8 7-Ethoxy-4-methylcoumarin87-05-8

Elsewhere

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