Methyl furan-3-carboxylate
Properties
- Molecular formula
- C6H6O3
- Molar mass
- 126.11 g/mol
- Exact mass
- 126.0317 Da
- logP
- 1.07Crippen estimate
- Polar surface area
- 39.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
13129-23-2SMILES
COC(=O)C1=COC=C1InChIKey
ZKHQSQYLKSSYIP-UHFFFAOYSA-NInChI
InChI=1S/C6H6O3/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl furan-3-carboxylate
Similar compounds
Ethyl 3-furoate614-98-261 % similar
Dimethyl terephthalate120-61-659 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-559 % similar
Methyl coumalate6018-41-356 % similar
Trimethyl benzene-1,3,5-tricarboxylate2672-58-454 % similar
Methyl benzoate93-58-353 % similar
Dimethyl isophthalate1459-93-452 % similar
Methyl 4-biphenylcarboxylate720-75-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.