Methyl 2-acetoxybenzoate

C10H10O4CAS 580-02-9194.19 g/mol

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Ester

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
51.5 °C
Boiling point
134–136 °C
logP
1.40Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
580-02-9
SMILES
COC(=O)c1ccccc1OC(C)=O
InChIKey
ONWPLBKWMAUFGZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzoic acid, 2-(acetyloxy)-, methyl ester
  • Salicylic acid acetate, methyl ester
  • Salicylic acid, methyl ester, acetate
  • Acetylsalicylic acid, methyl ester
  • Methyl acetylsalicylate
  • Methyl aspirin
  • Methyl rhodin
  • Methylrhodine
  • Methyl O-acetylsalicylate
  • Methyl o-acetoxybenzoate
  • Aspirin methyl ester
  • NSC 403847
  • Methyl acetylsalicylic acid

Work with Methyl 2-acetoxybenzoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Guacetisal55482-89-870 % similar Methyl 2-methoxybenzoate606-45-165 % similar Acetylsalicylsalicylic acid530-75-664 % similar Aspirin50-78-259 % similar Acetylsalicyloyl chloride5538-51-259 % similar 2-(Acetyloxy)benzamide5663-71-859 % similar Methyl 2-ethoxybenzoate3686-55-358 % similar 2-Methoxyphenyl acetate15212-03-057 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 Hydroquinone diacetate1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 3-Acetoxy-O-toluic acid168899-58-9

Elsewhere

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