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
1.5528 0.8484 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8222 -0.3138 0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3983 -0.6480 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5954 -1.8106 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 0.3998 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4401 0.1562 -0.8928 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2717 1.6547 0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 1.2122 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 1.6375 0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 0.5718 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 -0.0907 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4635 -1.2001 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -1.9856 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1018 -2.6411 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0826 2.2094 0.6285 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