chempirical

Diethyl 2,5-furandicarboxylate

C10H12O5CAS 53662-83-2212.20 g/mol

Open in Covalent MOL file
OOOOO
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 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

PubChem CAS Common Chemistry NIST WebBook