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
-0.9006 -0.5752 0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2549 0.1045 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9820 0.4326 -1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 0.3802 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7225 0.9494 -1.1672 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9764 0.0527 0.8831 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6668 -1.2913 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3534 0.1638 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 -1.1267 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0275 0.2213 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5174 0.9159 -2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 -0.2270 0.7786 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