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
-1.3293 1.1061 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0474 -0.2124 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3328 -0.6574 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6087 -1.8019 0.7117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4540 0.0569 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6283 -0.3873 -0.4459 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 1.2631 -1.1791 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3579 1.8851 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6328 1.3853 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3540 1.1128 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7026 -0.9787 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3644 -0.1694 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1596 -2.4117 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6109 -2.2028 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0102 2.0123 -1.1319 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