5-Acetoxymethyl-2-furaldehyde

C8H8O4CAS 10551-58-3168.15 g/mol

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AldehydeEster

Properties

Molecular formula
C8H8O4
Molar mass
168.15 g/mol
Exact mass
168.0423 Da
logP
1.16Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
10551-58-3
SMILES
CC(=O)OCc1ccc(C=O)o1
InChIKey
QAVITTVTXPZTSE-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-4H,5H2,1H3

Weigh it out

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Names and synonyms

12 names
  • 5-(Acetoxymethyl)-2-furaldehyde
  • 2-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-
  • 2-Furaldehyde, 5-(hydroxymethyl)-, acetate
  • 5-[(Acetyloxy)methyl]-2-furancarboxaldehyde
  • 5-(Acetoxymethyl)furfural
  • 5-Formylfurfuryl acetate
  • 5-(Acetoxymethyl)-2-furancarboxaldehyde
  • 5-Formyl-2-furfuryl acetate
  • 5-(Acetoxymethyl)furfuraldehyde
  • 5-Formyl-2-furylmethyl acetate
  • (5-Formylfuran-2-yl)methyl acetate
  • 5-Acetoxymethyl-2-furfural

Work with 5-Acetoxymethyl-2-furaldehyde

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

5-Ethyl-2-furaldehyde23074-10-451 % similar Furfural acetate623-17-650 % similar Benzyl acetate140-11-447 % similar Hydroxymethylfurfural67-47-047 % similar p-Methylbenzyl acetate2216-45-745 % similar Anisyl acetate104-21-243 % similar 2,5-Furandicarboxaldehyde823-82-542 % similar 4-(5-Formyl-2-furanyl)benzoic acid ethyl ester19247-87-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxyphenylacetic acid102-32-9 4-Hydroxymandelic acid1198-84-1 Vanillic acid121-34-6 (4-Hydroxyphenoxy)acetic acid1878-84-8 Methyl 3,4-dihydroxybenzoate2150-43-8 3,5-Dihydroxybenzoic acid methyl ester2150-44-9 Methyl 2,6-dihydroxybenzoate2150-45-0 Methyl 2,5-dihydroxybenzoate2150-46-1

Elsewhere

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