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
-1.4986 0.9879 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8461 -0.2980 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3759 -0.6270 0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4436 -1.7452 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5290 0.2802 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5775 0.0177 0.8208 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5078 1.4918 -0.5042 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1117 0.7922 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2631 1.2438 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 1.8118 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6305 -0.2421 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 -1.0999 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3846 -2.4198 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3274 -1.9960 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3643 1.8025 -0.9903 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