Diethyl 2,5-furandicarboxylate

C₁₀H₁₂O₅CAS 53662-83-2212.20 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₁₀H₁₂O₅
Molar mass: 212.20 g/mol
Exact mass: 212.0685 Da
logP: 1.63Crippen estimate
Polar surface area: 65.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

53662-83-2

SMILES

CCOC(=O)C1=CC=C(O1)C(=O)OCC

InChIKey

PHGMGTWRSNXLDV-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O5/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2,5-Furandicarboxylic acid diethyl ester

Work with Diethyl 2,5-furandicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5-(chloromethyl)-2-furancarboxylate2528-00-970 % similar Ethyl 2-furoate1335-40-663 % similar Ethyl 2-furoate614-99-363 % similar Diethyl phthalate84-66-262 % similar Diethyl terephthalate636-09-961 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-958 % similar Ethyl oxazole-5-carboxylate118994-89-156 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Eudesmic acid118-41-2 Propyl gallate121-79-9 3,5-Dimethoxy-4-hydroxyphenylacetic acid4385-56-2 2,4,5-Trimethoxybenzoic acid490-64-2 2,4,6-Trimethoxybenzoic acid570-02-5 2,3,4-Trimethoxybenzoic acid573-11-5 Methyl 3-hydroxy-4,5-dimethoxybenzoate83011-43-2 Methyl syringate884-35-5

Elsewhere

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