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
1.4582 0.9292 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9674 -0.1438 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3695 -0.6535 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5417 -1.9276 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5333 0.2115 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6848 -0.2013 -0.1639 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.5581 -0.7488 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1308 0.7834 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1798 1.9527 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5739 0.8998 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 -0.9461 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9052 0.3417 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 -2.3519 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2898 -2.6190 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1990 2.1668 -0.9025 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