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
-1.7825 0.1715 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6029 -0.3481 0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6344 -0.4279 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2347 -1.5792 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2040 0.7568 -0.7097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2477 0.7276 -1.3903 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5863 2.0043 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 0.8698 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3228 -0.7136 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4704 0.6877 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4336 0.3994 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8643 -1.2866 1.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 -2.4627 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1357 -1.6364 -0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0396 2.8375 -0.9450 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