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
-1.8111 0.6127 -0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9556 -0.4108 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4298 -0.4308 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9100 -1.5555 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2427 0.7661 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7463 1.8133 0.6045 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5604 0.8051 -0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5154 1.6434 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8637 0.3949 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7476 0.3953 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -1.3869 0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0324 -0.1217 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9332 -1.5553 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3102 -2.4418 -0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2449 1.4719 0.0069 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