chempirical

3-Formylchromone

C10H6O3CAS 17422-74-1174.15 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C10H6O3
Molar mass
174.15 g/mol
Exact mass
174.0317 Da
Density
1.7 g/mL
Melting point
149–151 °C
logP
1.61Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
17422-74-1
SMILES
O=Cc1coc2ccccc2c1=O
InChIKey
FSMYWBQIMDSGQP-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H

Weigh it out

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

Names and synonyms

12 names
  • 4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-
  • 4-Oxo-4H-1-benzopyran-3-carboxaldehyde
  • Chromone-3-aldehyde
  • Chromone-3-carboxaldehyde
  • 4-Oxo-4H-chromene-3-carboxaldehyde
  • 4-Oxo-1-benzopyran-3-carboxaldehyde
  • 4-Oxo-4H-benzopyran-3-carboxaldehyde
  • 3-Formyl-4H-1-benzopyran-4-one
  • Chromon-3-carboxaldehyde
  • NSC 291317
  • 4-Oxobenzopyran-3-carboxaldehyde
  • 4-Oxo-4H-chromen-3-carbaldehyde

Work with 3-Formylchromone

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

Isoflavone574-12-953 % similar 6,8-Dichloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde64481-10-344 % similar Chromone491-38-339 % similar 9-Phenanthrenecarboxaldehyde4707-71-538 % similar 9,10-Anthracenedicarboxaldehyde7044-91-938 % similar Benzo[B]thiophene-3-carboxaldehyde5381-20-437 % similar 4-Quinolinecarboxaldehyde4363-93-336 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-335 % similar

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

Same formula

Phenylmaleic anhydride36122-35-7 Juglone481-39-0 Lawsone83-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook