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
-1.6620 -0.9181 -0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 0.2828 -0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3532 0.5436 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 1.6934 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -0.4767 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 -1.5863 -0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6479 -0.3096 0.4465 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -1.5294 0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 -0.5843 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2053 -1.5086 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7937 -0.0017 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6497 1.1452 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1765 2.4535 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5422 1.8723 0.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1388 -1.0761 0.9116 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