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
-1.6541 -0.5076 0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8525 0.2849 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5322 0.5256 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9569 1.7607 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4362 -0.5789 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6277 -0.4098 0.4024 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0399 -1.9143 -0.1026 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6932 0.0896 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6827 -0.5933 -0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2759 -1.5258 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3943 1.2393 -0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8626 -0.2220 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2918 2.6046 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9844 1.9177 0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5461 -2.6708 0.3507 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