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
-0.8996 -0.3955 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3241 -0.0000 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 0.3959 0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 0.3514 -0.6414 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9388 -0.6802 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3041 -0.4187 -1.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9047 0.0322 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5386 0.7151 1.3520 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