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
1.7358 0.3023 0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -0.4456 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5785 -0.4547 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1689 -1.5946 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2879 0.7807 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 0.7897 0.5997 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7275 2.0376 -0.0902 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2587 -0.4110 1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 0.7681 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1656 1.0737 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1800 -1.4723 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7998 0.0676 -1.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7031 -2.5652 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1932 -1.6372 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 2.7608 -0.4704 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