Monomers
2-Ethylacrylic acid
Identifiers
IUPAC name
2-methylidenebutanoic acid
InchI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h2-3H2,1H3,(H,6,7)
InchI Key
WROUWQQRXUBECT-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)O
Canonical SMILES
CCC(=C)C(=O)O
Isomeric SMILES
CCC(=C)C(=O)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-1.6882 0.5137 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7858 -0.4156 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5523 -0.5546 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0102 -1.7149 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4057 0.6118 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5452 0.5367 -0.7294 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0037 1.8864 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3305 -0.0308 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3821 1.0174 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1004 1.3235 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2547 -1.4114 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6899 -0.0039 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3882 -2.5827 -0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9738 -1.8426 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3527 2.6670 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 3
3 5 1 0
5 6 2 0
5 7 1 0
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
4 13 1 0
4 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers