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
-1.7814 -0.5760 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0201 0.2248 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3911 0.4013 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8768 1.6166 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2440 -0.7529 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8071 -1.9152 0.1438 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -0.5897 -0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1850 -0.4981 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8070 -0.1799 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 -1.6360 -0.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5298 1.2124 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1012 -0.2685 1.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9059 1.7965 -0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2101 2.4495 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2826 -1.2850 -0.2798 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