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
-1.6895 -0.8759 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1034 0.4389 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3567 0.4827 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8113 1.4455 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2771 -0.4924 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9128 -1.4375 -1.3111 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6220 -0.3778 -0.2808 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7864 -0.7977 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3272 -1.7093 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4766 -0.9909 1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 1.2547 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2985 0.5365 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1468 2.1771 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8698 1.4867 0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2738 -1.1406 -0.3892 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