Methyl 5-acetylsalicylate
Properties
- Molecular formula
- C10H10O4
- Molar mass
- 194.19 g/mol
- Exact mass
- 194.0579 Da
- Melting point
- 55 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
16475-90-4SMILES
COC(=O)c1cc(C(C)=O)ccc1OInChIKey
XLSMGNNWSRNTIQ-UHFFFAOYSA-NInChI
InChI=1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzoic acid, 5-acetyl-2-hydroxy-, methyl ester
- Methyl 3-acetyl-6-hydroxybenzoate
- Methyl 5-acetyl-2-hydroxybenzoate
- 5-Acetyl-2-hydroxybenzoic acid methyl ester
- Methyl 2-hydroxy-5-acetylbenzoate
- NSC 67867
- 5-Acetylsalicylic acid methyl ester
- Salicylic acid, 5-acetyl-, methyl ester
Work with Methyl 5-acetylsalicylate
Similar compounds
4-Hydroxyisophthalic acid dimethyl ester5985-24-079 % similar
Methyl 2,5-dihydroxybenzoate2150-46-165 % similar
3',4'-Dihydroxyacetophenone1197-09-765 % similar
Methyl 5-methylsalicylate22717-57-363 % similar
Methyl 5-methoxysalicylate2905-82-062 % similar
Methyl 5-fluoro-2-hydroxybenzoate391-92-462 % similar
Methyl 5-iodosalicylate4068-75-162 % similar
5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-262 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.