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
-1.2122 -0.1542 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0540 0.4944 -0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2211 -0.1397 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3297 -1.3478 0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2332 -1.2025 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1304 0.3851 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0554 1.5419 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1344 0.4227 -0.0172 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