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
1.5483 -0.7605 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 0.1217 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 0.6228 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6665 1.9162 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5138 -0.3070 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6497 0.0699 0.5272 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3365 -1.6926 0.0437 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6505 -0.7004 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2984 -1.8469 0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3524 -0.5005 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7411 -0.4916 -1.5807 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5597 0.9374 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6010 2.3141 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 2.6105 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9267 -2.2930 0.6067 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