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
-2.0238 -0.2524 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8924 0.6485 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 -0.0490 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5554 -1.3096 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5958 0.7134 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5203 1.9282 0.7195 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8724 0.1185 0.4219 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9118 0.4085 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8371 -0.7635 -1.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1964 -0.9703 0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0837 0.9299 1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8876 1.5846 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5171 -1.7686 -0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3091 -1.8792 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6652 0.6608 0.7825 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