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
-1.7109 -0.8153 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.4498 0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3745 0.5139 -0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7071 1.4855 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3139 -0.5478 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0445 -1.4919 1.0204 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 -0.5187 -0.3371 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3183 -1.2666 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6507 -1.5887 0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7867 -0.5281 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 0.5147 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5098 1.3605 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6671 1.5662 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0190 2.2534 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 -1.3868 -0.3615 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