Methyl 3-formylbenzoate
Properties
- Molecular formula
- C9H8O3
- Molar mass
- 164.16 g/mol
- Exact mass
- 164.0473 Da
- logP
- 1.29Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed71.4% of notifiers
- H315 Causes skin irritation42.9% of notifiers
- H319 Causes serious eye irritation42.9% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
52178-50-4SMILES
COC(=O)C1=CC=CC(=C1)C=OInChIKey
UVSBCUAQEZINCQ-UHFFFAOYSA-NInChI
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 3-formylbenzoate
Similar compounds
Dimethyl isophthalate1459-93-468 % similar
m-Chlorobenzoic acid methyl ester2905-65-958 % similar
Methyl m-fluorobenzoate455-68-558 % similar
Methyl 3-bromobenzoate618-89-358 % similar
Methyl m-toluate99-36-558 % similar
Methyl 3-hydroxybenzoate19438-10-957 % similar
Methyl 3-aminobenzoate4518-10-957 % similar
Methyl m-methoxybenzoate5368-81-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.