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
1.7957 0.5915 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8706 -0.5116 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4197 -0.4692 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8407 -1.4479 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2732 0.7044 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9172 1.6598 0.7801 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4936 0.8076 -0.5978 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7371 0.8885 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 1.5125 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8447 0.2530 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3471 -1.5059 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6505 -0.4115 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2587 -2.3681 -0.9819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7773 -1.4053 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9089 1.7023 -0.8560 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