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
1.8976 -0.2067 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7252 0.5517 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 0.3198 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0948 1.3495 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0643 -1.0008 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4771 -1.9570 0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2120 -1.1876 -0.8157 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 -1.2250 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7636 -0.2800 -0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8148 0.3574 0.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9698 1.6066 0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5392 0.2325 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 2.3408 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9968 1.2052 -1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6551 -2.1065 -0.9317 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