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
-1.3990 1.0854 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0310 -0.2845 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3398 -0.6699 -0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5457 -1.7525 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1232 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6662 -0.2412 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3674 1.2768 1.0927 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2593 1.8062 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4761 1.1262 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8034 1.2998 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 -0.2830 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7351 -0.9993 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3203 -2.3277 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5575 -2.0669 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1603 1.9073 1.2916 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