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
-1.3680 1.0749 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8471 0.1323 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.6870 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2022 -2.0057 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4941 -0.0311 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4776 -0.6859 -0.6234 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 1.3483 -0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4779 1.1622 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9869 2.1068 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 0.7401 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7049 -0.5107 1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4979 0.7381 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0246 -2.6031 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6786 -2.5287 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5486 1.7496 -0.1107 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