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
1.5918 -1.0181 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0958 0.1882 0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2984 0.5325 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 1.7174 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4060 -0.3818 0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1852 -1.5358 0.9453 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7142 -0.0908 0.1445 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4811 -0.7608 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9302 -1.8204 0.5229 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8326 -1.4077 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7820 1.0113 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1329 -0.0692 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2426 2.4544 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5362 1.9945 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4193 -0.8138 -0.0644 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