Methyl 2-acetoxybenzoate
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
Identifiers
CAS number
580-02-9SMILES
COC(=O)c1ccccc1OC(C)=OInChIKey
ONWPLBKWMAUFGZ-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 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
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
Methyl 2-ethoxybenzoate3686-55-358 % similar
Benorylate5003-48-554 % similar
2-Methylphenyl acetate533-18-653 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds