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
-2.0513 -0.0688 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7084 -0.0311 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4166 0.0177 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1594 0.0236 1.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7603 0.0571 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9307 0.0489 -1.6428 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8874 0.1044 0.4041 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8164 -0.1295 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1747 0.8522 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 -0.9900 0.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5716 -0.8472 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6807 0.9348 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8599 -0.0069 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9829 0.0595 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8241 -0.0246 0.0904 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