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
-1.5898 0.7713 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5217 0.4634 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4540 -0.5297 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6174 -1.6638 -0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 -0.2585 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0855 -1.0865 1.3695 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1159 0.9323 1.6460 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1166 -0.1190 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 1.3454 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3489 1.4154 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0321 1.4526 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0332 0.1671 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0245 -1.8561 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3073 -2.4377 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9182 1.4035 2.0580 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