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
0.9449 0.1906 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0554 -0.4824 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 0.1538 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8176 -0.4271 -1.3832 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5255 -0.2827 1.5176 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1561 1.1812 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3364 -1.4769 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5864 1.1435 -1.1589 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