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
-1.9748 0.1074 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6493 -0.6063 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 0.2313 -0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2728 1.4301 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7850 -0.3368 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 0.3449 -0.6278 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0380 -1.5979 0.3298 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7490 -0.6165 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2220 0.4385 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9436 0.9415 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7008 -1.5938 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4387 -0.7212 1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1159 1.9788 -1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 1.8289 -0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0002 -1.8291 0.5406 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