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
-1.8687 0.5155 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9842 -0.6691 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4587 -0.3706 -0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0812 -0.9887 -1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1981 0.5406 0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6352 1.1341 1.6762 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.7695 0.5126 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5613 1.1969 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9057 0.1384 -0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8731 1.1171 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1191 -1.0717 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2643 -1.5015 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 -1.6769 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1341 -0.7795 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0053 1.6460 0.7634 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