5-Acetylsalicylic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 216–217 °C
- logP
- 1.29Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 6 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
13110-96-8SMILES
CC(=O)c1ccc(O)c(C(=O)O)c1InChIKey
NZRDKNBIPVLNHA-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-5(10)6-2-3-8(11)7(4-6)9(12)13/h2-4,11H,1H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 5-acetyl-2-hydroxy-
- Salicylic acid, 5-acetyl-
- 5-Acetyl-2-hydroxybenzoic acid
- 3-Acetyl-6-hydroxybenzoic acid
- 4-Hydroxy-3-carboxyacetophenone
- 2-Hydroxy-5-acetylbenzoic acid
Work with 5-Acetylsalicylic acid
Similar compounds
4-Hydroxyisophthalic acid636-46-474 % similar
5-Acetyl-2-hydroxybenzamide40187-51-771 % similar
3',4'-Dihydroxyacetophenone1197-09-766 % similar
4-Acetyl-2-methylbenzoic acid55860-35-061 % similar
4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-661 % similar
Methyl 5-acetylsalicylate16475-90-461 % similar
4′-Hydroxy-3′-methylacetophenone876-02-860 % similar
5-Methylsalicylic acid89-56-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds