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
-1.8812 -0.6487 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3894 -0.8849 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3570 0.4185 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2717 1.5722 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7936 0.3553 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4454 1.4162 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -0.8394 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1722 -0.0872 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 -1.6073 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1644 -0.0280 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1067 -1.4555 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0745 -1.3988 0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3122 2.4745 -0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 1.6522 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 -0.9392 -0.0123 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