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
-1.4327 -0.6593 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1821 0.1352 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2054 1.3715 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0577 -0.4631 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1037 -1.6575 0.8022 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2096 0.3207 0.3884 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 -1.7441 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9478 -0.5352 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0895 -0.3776 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1253 1.8149 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7017 1.9508 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1241 -0.1564 0.4270 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