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
1.8850 0.2129 0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 -0.4501 0.8125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5074 -0.3442 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1217 -1.3932 -0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0029 0.9638 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4541 2.0193 -0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0899 1.1286 -1.3292 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 0.6676 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 0.9940 0.9538 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7079 -0.5409 0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8333 -1.5419 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4407 -0.0064 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9567 -1.3238 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7460 -2.3646 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6449 1.9789 -1.1754 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