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
-1.4547 1.0135 -0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8936 -0.1574 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3784 -0.6606 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 -1.9113 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5654 0.1631 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6030 -0.3080 0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5528 1.4643 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1150 0.9673 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5695 0.9473 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1330 1.9430 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6542 0.1613 -1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5975 -1.0020 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4835 -2.5352 0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3247 -2.2757 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0770 2.1903 -0.0277 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