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
1.5998 -0.8242 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6648 0.0623 -1.0497 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4173 0.6279 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5778 1.9322 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3322 -0.2839 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 0.1739 1.1651 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2448 -1.6529 0.3552 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6052 -1.8488 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2387 -0.9346 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6334 -0.4463 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2779 -0.5167 -1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2491 0.8955 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3691 2.3550 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0867 2.6326 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1332 -2.1721 0.3139 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