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
-1.0537 0.5359 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1528 -0.1080 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1193 -0.4346 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9700 -1.0470 -0.5465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8215 0.8063 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0157 0.7932 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3934 -0.3794 -1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3478 -0.1664 1.1406 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