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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3-Formyl-6-methylchromone42059-81-461 % similar 6-Chloro-3-formylchromone42248-31-761 % similar 6-Bromo-3-formylchromone52817-12-661 % similar 6-Fluoro-3-formylchromone69155-76-661 % similar 6-Ethyl-3-formylchromone42059-78-956 % similar 3-Formyl-6-isopropylchromone49619-58-156 % similar 3-Bromochromone49619-82-154 % similar Isoflavone574-12-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmaleic anhydride36122-35-7 Juglone481-39-0 6-Formaldehydecoumarin51690-26-7 Lawsone83-72-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook