Monomers
Methacrylic acid
Identifiers
IUPAC name
2-methylprop-2-enoic acid
InchI
InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InchI Key
CERQOIWHTDAKMF-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)O
Canonical SMILES
CC(=C)C(=O)O
Isomeric SMILES
CC(=C)C(=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
37.3
MolLogP
0.6471
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
12 11 0 0 0 0 0 0 0 0999 V2000
-1.3296 -0.8200 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1841 0.0560 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4441 1.1490 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -0.2774 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4405 -1.3161 -0.9301 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2616 0.5244 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -0.3692 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0358 -1.8603 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0713 -0.7647 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3845 1.7839 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4578 1.3882 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0670 0.5062 -0.5504 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
1 7 1 0
1 8 1 0
1 9 1 0
3 10 1 0
3 11 1 0
6 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers