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
-1.5286 -1.0188 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1526 0.2555 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2823 0.5490 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 1.6528 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2498 -0.3775 0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8785 -1.4555 1.3716 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6194 -0.1328 0.7893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1438 -0.8096 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6332 -1.6332 -0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1238 -1.6433 0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7059 1.1021 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 0.2232 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7604 1.8581 -0.3199 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0064 2.3451 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2610 -0.9152 0.8349 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