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
-1.6230 -0.9253 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1253 0.1182 -0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2874 0.4270 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6394 1.6705 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3687 -0.5070 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2101 -1.7036 -0.8174 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6976 -0.1148 -0.4721 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1528 -1.8990 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7073 -1.0714 0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5624 -0.5544 1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 1.0434 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3813 -0.1720 -1.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6764 2.0026 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0803 2.4591 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4613 -0.7732 -0.2487 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