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
-1.7322 -0.4282 -0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3867 -0.7532 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 -0.1549 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6452 -0.9552 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 1.2767 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8511 1.7347 0.8470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0325 2.1983 -0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4453 -1.1967 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -0.5865 0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0942 0.5577 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3405 -0.3340 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2815 -1.8337 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5430 -2.0149 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4940 -0.5776 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1333 3.0675 0.2109 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