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
-1.2132 0.0639 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0105 -0.4641 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1515 0.2670 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3088 -0.2179 -0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0383 -0.5114 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3917 1.0560 -0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1677 -1.4652 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0258 1.2716 -0.6399 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