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
Resources
cid=

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
   -1.2631   -0.9410    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2144    0.0750   -0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5691    1.2168   -0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811   -0.1707    0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5053   -1.2480    0.9031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1868    0.7440    0.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7781   -1.8490    0.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468   -1.1668   -0.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869   -0.4948    0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5796    1.4051   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2134    1.9603   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1514    0.4690   -0.1158 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