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
-1.7359 -0.7012 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9780 0.3748 -0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3680 0.4920 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7599 1.6169 0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2461 -0.6678 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 -1.7665 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5212 -0.6394 0.5017 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8274 -0.5132 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4516 -1.6950 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.7163 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5114 1.3404 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8278 -0.0104 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0989 2.4811 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 1.7777 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1773 -1.3731 0.2678 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