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
1.6852 -0.4122 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 0.5370 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3937 0.3831 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 1.4136 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 -0.8756 -0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3499 -1.8946 -0.9709 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4073 -0.9774 -0.7735 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9227 -1.0470 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2174 0.1339 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4307 -1.0608 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3174 1.5696 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5639 0.4003 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7123 2.3371 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 1.3491 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 -1.8560 -0.5769 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