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
-1.3623 -0.9145 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7922 -0.4424 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2772 0.5556 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1398 1.7483 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4699 0.2278 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3696 1.0734 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -1.0291 0.8963 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3450 -0.4268 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4992 -2.0289 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 -0.5835 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6544 -0.0541 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -1.3508 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 2.0780 -1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9162 2.4820 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6525 -1.3348 0.9187 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