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
-1.6649 -0.5410 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8625 0.0148 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4591 0.5094 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8134 1.7735 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4329 -0.3777 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5588 0.0273 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1482 -1.7205 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0465 -0.4607 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8741 -1.6018 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6300 0.0044 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7273 -0.7862 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4236 0.8803 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 2.1760 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1198 2.4638 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9421 -2.3616 0.6229 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