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
-1.4486 -1.2493 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9986 0.0108 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 0.5909 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2329 1.8010 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4353 -0.1997 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4684 -1.3509 -0.5195 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 0.2922 0.5231 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5323 -1.4023 -0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2907 -1.1997 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9160 -2.1551 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7827 -0.1844 -1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8159 0.7768 -0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6671 2.4378 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1404 2.1692 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3454 -0.3372 0.8738 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