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
-1.7723 -0.8029 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 0.2955 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3701 0.4503 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 1.5993 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3378 -0.6284 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0284 -1.7257 -0.5132 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5691 -0.4703 0.5941 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 -1.7913 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7468 -0.6051 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7995 -0.7127 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 0.1138 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5373 1.2287 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0447 2.3970 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6652 1.7450 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 -1.0932 0.4312 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