chempirical

Furfurylidene diacetate

C9H10O5CAS 613-75-2198.17 g/mol

Open in Covalent MOL file
OOOOO
AcetalEster

Properties

Molecular formula
C9H10O5
Molar mass
198.17 g/mol
Exact mass
198.0528 Da
logP
1.40Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
613-75-2
SMILES
CC(=O)OC(C1=CC=CO1)OC(=O)C
InChIKey
NHOCEIKFQXQFMX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O5/c1-6(10)13-9(14-7(2)11)8-4-3-5-12-8/h3-5,9H,1-2H3

Weigh it out

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

Names and synonyms

17 names · show all
  • [Acetyloxy(furan-2-yl)methyl] acetate
  • Methanediol, 1-(2-furanyl)-, 1,1-diacetate
  • Methanediol, 2-furanyl-, diacetate
  • (Acetyloxy)(2-furyl)methyl acetate
  • (Acetyloxy)(furan-2-yl)methyl acetate
  • 2-(Diacetoxymethyl)furan
  • Furfurylidene di(acetate)
  • [Acetoxy(2-furyl)methyl] acetate
  • 2-Furanmethanediol diacetate
  • Furan-2-ylmethylene diacetate
  • Furfural diacetate
  • (2-Furanyl)methanediol diacetate
  • Furan-2-ylmethylenediacetate
  • 2-Furanyl-methanediol diacetate
  • Acetyloxy-2-furylmethyl acetate
  • (Furan-2-yl)methylene diacetate
  • [Acetyloxy-(furan-2-yl)methyl] acetate

Work with Furfurylidene diacetate

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

Phenylmethanediol diacetate581-55-555 % similar Furfuryl acetate623-17-649 % similar 5-Nitrofurfural diacetate92-55-748 % similar 2-Furfural diethyl acetal13529-27-646 % similar 1-Phenylethyl acetate93-92-543 % similar 2-Acetylfuran1192-62-740 % similar 1-Phenyl-2-propanol acetate2114-33-240 % similar 5-(2-Furyl)cyclohexane-1,3-dione1774-11-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hydroxy-4,5-dimethoxybenzoic acid1916-08-1 Vanillylmandelic acid2394-20-9 (±)-3-Hydroxy-4-methoxymandelic acid3695-24-7 Syringic acid530-57-4 Vanillylmandelic acid55-10-7 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-0 Salvianic acid A76822-21-4 Ethyl gallate831-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook