chempirical

Methyl 2-ethoxybenzoate

C10H12O3CAS 3686-55-3180.20 g/mol

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OOO
EsterEther

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Density
1.1535 g/mL (at 20 °C)
Boiling point
120–121 °C (at 5 Torr)
logP
1.87Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
3686-55-3
SMILES
CCOc1ccccc1C(=O)OC
InChIKey
QAYQKAPOTVSWLS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Benzoic acid, 2-ethoxy-, methyl ester
  • Benzoic acid, o-ethoxy-, methyl ester
  • Methyl o-ethoxybenzoate
  • R 172
  • NSC 406652
  • 2-Ethoxy-benzoic acid methyl ester

Work with Methyl 2-ethoxybenzoate

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 2-ethoxybenzoate6290-24-074 % similar Methyl 2-methoxybenzoate606-45-165 % similar Dimethyl phthalate131-11-361 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-861 % similar 2-Ethoxybenzoic acid134-11-259 % similar 2-Ethoxybenzoyl chloride42926-52-359 % similar Methyl 2-acetoxybenzoate580-02-958 % similar Ethyl 2-methoxybenzoate7335-26-458 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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