Monomers

Acrolein

Identifiers

IUPAC name
prop-2-enal
InchI
InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
InchI Key
HGINCPLSRVDWNT-UHFFFAOYSA-N
SMILES
C=CC=O
Canonical SMILES
C=CC=O
Isomeric SMILES
C=CC=O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H4O
Heavy Atom Count
4
Molecular Weight
56.064
Exact Molecular Weight
56.0262
Valence Electrons
22
Radical Electrons
0
tPSA
17.07
MolLogP
0.3713
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.1258    0.1552   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246    0.4246    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.4077    0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1052   -1.3886   -0.5961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1104   -0.7025   -1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0071    0.7733   -0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206    1.2967    0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292   -0.1509    0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  1  5  1  0
  1  6  1  0
  2  7  1  0
  3  8  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers