Methyl 2-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 swallowed25% of notifiers
- H315 Causes skin irritation93.8% of notifiers
- H317 May cause an allergic skin reaction68.8% of notifiers
- H319 Causes serious eye irritation93.8% of notifiers
- H335 May cause respiratory irritation18.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects68.8% of notifiers
Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
4122-56-9SMILES
COC(=O)C1=CC=CC=C1C=OInChIKey
YRMODRRGEUGHTF-UHFFFAOYSA-NInChI
InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 2-formylbenzoate
Similar compounds
Dimethyl phthalate131-11-366 % similar
Methyl 3-formyl-2-nitrobenzoate138229-59-161 % similar
Methyl 5-bromo-2-formylbenzoate1016163-89-561 % similar
Methyl 2-bromobenzoate610-94-656 % similar
Methyl 2-methylbenzoate89-71-456 % similar
Methyl salicylate119-36-854 % similar
Methyl anthranilate134-20-354 % similar
Methyl 2-fluorobenzoate394-35-454 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.