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
-1.8308 -0.6360 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8785 0.0798 0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 0.3961 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8077 1.6521 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -0.6765 -0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8969 -1.8799 -0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4448 -0.3955 -0.9917 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7725 -0.7883 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4075 -1.5598 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0043 0.0495 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7257 -0.5733 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 0.9956 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2389 2.4870 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7399 1.8705 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2395 -1.0214 -0.9741 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