Methyl 3-formyl-4-hydroxybenzoate
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 78–80 °C
- logP
- 0.99Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H335 May cause respiratory irritation95.2% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
24589-99-9SMILES
COC(=O)c1ccc(O)c(C=O)c1InChIKey
ADSJCWKOKYOJSZ-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-5,11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-formyl-4-hydroxy-, methyl ester
- Isophthalaldehydic acid, 4-hydroxy-, methyl ester
- 5-Carbomethoxysalicylaldehyde
- 5-(Methoxycarbonyl)salicylaldehyde
- 3-Formyl-4-hydroxybenzoic acid methyl ester
- Methyl-3-formyl-4-hydroxybenzoic acid
Work with Methyl 3-formyl-4-hydroxybenzoate
Similar compounds
Methyl 3,4-dihydroxybenzoate2150-43-869 % similar
4-Hydroxyisophthalic acid dimethyl ester5985-24-063 % similar
Methyl 3-bromo-4-hydroxybenzoate29415-97-260 % similar
Methyl vanillate3943-74-660 % similar
Methyl 3-chloro-4-hydroxybenzoate3964-57-660 % similar
Methyl 3-fluoro-4-hydroxybenzoate403-01-060 % similar
Orthocaine536-25-460 % similar
3-Formyl-4-hydroxybenzoic acid584-87-259 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.