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
-2.0129 0.3754 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9131 -0.2709 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4371 -0.0071 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6233 0.7062 1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 -0.5752 -0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4666 -1.2723 -1.7155 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8260 -0.3398 -0.1834 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9571 0.2115 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8516 1.4511 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1480 -0.1301 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9151 0.0766 -1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1219 -1.3605 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2205 1.1354 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6164 0.8797 1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6066 -0.8800 -0.5404 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