chempirical

Furoin

C10H8O4CAS 552-86-3192.17 g/mol

Open in Covalent MOL file
OOOHO
AlcoholKetone

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
39–138 °C
logP
1.79Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
552-86-3
SMILES
O=C(c1ccco1)C(O)c1ccco1
InChIKey
MIJRFWVFNKQQDK-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanone, 1,2-di-2-furanyl-2-hydroxy-
  • 1,2-Di-2-furanyl-2-hydroxyethanone
  • α-Furoin
  • 1,2-Bis(2-furyl)-2-hydroxyethanone
  • 2-Furyl(hydroxy)methyl 2-furyl ketone
  • NSC 18522
  • NSC 6105
  • (±)-Furoin
  • 2-Hydroxy-1,2-di-2-furanyl-ethanone
  • 1,2-Di(2-furyl)-2-hydroxyethanone
  • 1,2-Bis(furan-2-yl)-2-hydroxyethanone
  • 1,2-Bis(furan-2-yl)-2-hydroxyethan-1-one
  • 1,2-Di(2-furyl)-2-hydroxyethan-1-one

Work with Furoin

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

Alpha-furil492-94-447 % similar α-Methyl-2-furanmethanol4208-64-444 % similar 2-Acetylfuran1192-62-743 % similar 2-Furoyl chloride527-69-543 % similar 2-Furancarboxamide609-38-143 % similar 2-Furancarboxylic acid hydrazide3326-71-441 % similar Methyl 2-thiofuroate13679-61-339 % similar Methyl 2-furoate611-13-239 % similar

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

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 7,8-Dihydroxy-4-methylcoumarin2107-77-9 3′,4′-Methylenedioxycinnamic acid2373-80-0 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2 4-Methylesculetin529-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia