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
    1.1439    0.3236    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1353   -0.5169    0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -0.0036   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3950    1.2300   -0.2147 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.0917    0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9408    1.3631   -0.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2743   -1.5898    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0271   -0.7148    0.0034 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