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
-1.3274 -1.0951 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8631 -0.0941 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 0.6979 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1033 1.9997 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4822 0.0242 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4295 0.6930 0.7916 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 -1.3447 0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5877 -1.9027 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4474 -0.6199 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2664 -1.5379 -0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4707 -0.7024 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6593 0.5284 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8006 2.4845 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 2.6181 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -1.7490 -0.0483 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