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
-1.6928 -1.0270 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 0.1197 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 0.4471 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5046 1.6612 -0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.4194 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 -1.5889 0.5693 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7405 -0.0010 -0.2761 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4130 -0.6531 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0490 -1.7433 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -1.5638 0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0322 -0.0620 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6935 1.0052 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4895 1.9870 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2762 2.4005 -0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5732 -0.5623 -0.1879 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