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
-1.1274 -1.3778 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0883 0.1244 -0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 0.6663 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3362 1.4184 1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4293 0.4013 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5371 0.8927 -0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4142 -0.3863 -1.6904 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8934 -1.7403 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 -1.6645 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4323 -1.8452 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8279 0.4932 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3694 0.5630 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5054 1.6530 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2914 1.8335 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1895 -1.0319 -1.8505 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