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
-1.4934 -0.8563 0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8736 0.3747 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 0.6361 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5827 1.7672 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4309 -0.3589 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5158 -0.1817 0.7184 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 -1.5492 -0.5487 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2359 -0.8837 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5897 -0.8827 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0741 -1.7362 -0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6364 0.1277 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.2314 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2118 2.5117 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5098 1.9356 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0121 -2.1358 -0.8615 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