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
-1.7411 0.5158 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7185 -0.3305 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5320 -0.4923 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8959 -1.7128 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3667 0.6246 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4073 0.4088 1.0794 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0492 1.9299 0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2212 -0.0353 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5598 0.7104 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 1.4454 0.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4827 0.0883 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 -1.3259 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8109 -1.8386 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2782 -2.5535 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8533 2.5658 -0.0020 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