2-Furanacrolein
Properties
- Molecular formula
- C7H6O2
- Molar mass
- 122.12 g/mol
- Exact mass
- 122.0368 Da
- Melting point
- 54 °C
- Boiling point
- 135 °C
- Water solubility
- insoluble
- logP
- 1.49Crippen estimate
- Polar surface area
- 30.2 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed93.7% of notifiers
- H314 Causes severe skin burns and eye damage93.8% of notifiers
Aggregated from 1,419 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
623-30-3SMILES
O=CC=Cc1ccco1InChIKey
VZIRCHXYMBFNFD-UHFFFAOYSA-NInChI
InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
12 names
- 2-Propenal, 3-(2-furanyl)-
- 3-(2-Furanyl)-2-propenal
- β-2-Furylacrolein
- 3-(2-Furyl)acrolein
- 3-(α-Furyl)propenal
- 1-(2-Furanyl)-1-propen-3-al
- 3-(2-Furyl)-2-propenal
- 2-(2-Formylvinyl)furan
- NSC 2061
- NSC 26338
- 3-(2-Furan)-acrolein
- 3-(2-Furanyl)acrolein
Work with 2-Furanacrolein
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Furfural98-01-156 % similar
Furylacrylic acid539-47-947 % similar
Furfurylideneacetone623-15-447 % similar
2-(2-Nitroethenyl)furan699-18-347 % similar
Cinnamaldehyde104-55-245 % similar
Cinnamaldehyde14371-10-945 % similar
2-Methyl-3-(2-furyl)acrolein874-66-843 % similar
Atractylodin55290-63-642 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds