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
-1.3072 -0.0529 1.1649 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9559 0.4293 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3164 -0.1217 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 -0.8580 -1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5203 0.1676 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6500 -0.2784 -0.3218 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4881 0.9315 1.1933 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3967 -0.3400 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 0.7782 1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7589 -0.9470 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7577 0.1821 -0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9394 1.5482 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2992 -1.2758 -2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5178 -1.0660 -2.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2317 0.9029 1.8872 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