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
-1.5909 -0.8365 0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8147 0.2046 -0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4215 0.6075 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5575 1.8784 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4654 -0.3404 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 0.0446 1.2909 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3957 -1.6872 0.3459 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6761 -0.6083 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 -1.8713 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2981 -0.8285 1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5349 -0.1831 -1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4731 1.0819 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 2.6178 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4248 2.2258 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1995 -2.3053 0.4557 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