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
-1.9984 -0.4967 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5733 -0.9545 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 0.1597 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 1.4389 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8134 -0.1140 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2146 -1.3029 -0.3421 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7398 0.9094 -0.5316 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6539 -1.3900 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1653 0.1234 0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2753 0.1513 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4852 -1.6088 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -1.5302 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0678 1.6590 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7015 2.2390 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7244 0.7162 -0.3834 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