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
-1.9792 0.0675 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6762 -0.5831 0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4829 0.1971 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2570 1.2747 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8408 -0.2123 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8061 0.4438 -0.4131 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0643 -1.3144 0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0673 0.0799 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0111 1.0767 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8108 -0.5862 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 -0.6795 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6057 -1.6129 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7242 1.6137 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0877 1.8362 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 -1.6012 1.1639 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