Salicylsalicylic acid

C₁₄H₁₀O₅CAS 552-94-3258.23 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Phenol

Properties

Molecular formula: C₁₄H₁₀O₅
Molar mass: 258.23 g/mol
Exact mass: 258.0528 Da
Melting point: 147 °C
logP: 2.31Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed87.2% of notifiers
H315 Causes skin irritation14.9% of notifiers
H319 Causes serious eye irritation14.9% of notifiers
H335 May cause respiratory irritation10.6% of notifiers
H400 Very toxic to aquatic life80.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

552-94-3

SMILES

O=C(Oc1ccccc1C(=O)O)c1ccccc1O

InChIKey

WVYADZUPLLSGPU-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)

Weigh it out

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

Names and synonyms

28 names · show all

Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester
Salicylic acid, bimol. ester
Salicylic acid, salicylate
Diplosal
Disalicylic acid
Salysal
o-Salicylsalicylic acid
Salsalate
Salicyloylsalicylic acid
Diacesal
Sasapirin
Sasapyrinum
Disalyl
Nobacid
Salical
Salina
Disalcid
Sasapyrine
Salicyl salicylate
Salicyloxysalicylic acid
Mono-gesic
NSC 49171
Salflex
Disalgesic
2-Hydroxybenzoic acid 2-carboxyphenyl ester
2-(2-Hydroxybenzoyl)oxybenzoic acid
2-(2-Hydroxybenzoyloxy)benzoic acid
2-((2-Hydroxybenzoyl)oxy)benzoicacid

Work with Salicylsalicylic acid

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

Acetylsalicylsalicylic acid530-75-665 % similar Salicylic acid69-72-764 % similar Phenyl salicylate118-55-859 % similar Ammonium salicylate528-94-958 % similar Aspirin50-78-256 % similar Methyl salicylate119-36-853 % similar 2-Methoxybenzoic acid529-75-953 % similar o-Anisic acid579-75-953 % similar

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

Same formula

4,4′-Oxybis[benzoic acid]2215-89-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook