chempirical

trans-Crotonaldehyde

C4H6OCAS 123-73-970.09 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C4H6O
Molar mass
70.09 g/mol
Exact mass
70.0419 Da
Density
0.869 g/mL (at 20 °C)
Melting point
−76 °C
Boiling point
104 °C
logP
0.76Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
123-73-9
SMILES
C/C=C/C=O
InChIKey
MLUCVPSAIODCQM-NSCUHMNNSA-N
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

Weigh it out

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

Names and synonyms

12 names
  • 2-Butenal, (2E)-
  • Crotonaldehyde, (E)-
  • 2-Butenal, (E)-
  • (2E)-2-Butenal
  • trans-2-Butenal
  • Topanel CA
  • (E)-Crotonaldehyde
  • (E)-2-Butenal
  • trans-2-Buten-1-al
  • 2(E)-Butenal
  • trans-Crotonal
  • (E)-But-2-en-1-al

Work with trans-Crotonaldehyde

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

Same formula

Divinyl ether109-93-3 Cyclobutanone1191-95-3 2,3-Dihydrofuran1191-99-7 Cyclopropanecarboxaldehyde1489-69-6 2,5-Dihydrofuran1708-29-8 3-Butyn-2-ol2028-63-9 (S)-(-)-1-Butyn-3-ol2914-69-4 Crotonaldehyde4170-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook