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
-1.2433 -0.8121 0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9395 -0.3757 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2276 0.5529 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 1.7698 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0958 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 0.8571 0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6135 -1.1941 0.5023 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -1.6119 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2864 -1.1383 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0873 0.0442 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8300 0.0663 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 -1.2959 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9604 2.4218 -0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8248 2.1708 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -1.5508 0.6680 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