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
-1.8076 -0.6201 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 0.2174 -0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3914 0.4037 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8395 1.6258 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3058 -0.7166 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9401 -1.9056 -0.2193 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6193 -0.5128 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8957 1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6945 -0.0639 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1902 -1.5332 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5359 1.1804 -0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9749 -0.2878 -1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8479 1.8504 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1802 2.4697 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2998 -1.2118 0.0514 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