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
-0.7785 -0.8546 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3715 0.3427 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0083 0.5641 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3631 1.7167 -0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7776 -1.0240 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0902 -1.6699 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0671 1.1671 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7136 -0.2422 -0.4499 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