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
   -1.2408   -0.5192    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1968    0.0524   -0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    0.9756   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870   -0.3929    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856   -1.2755    0.8081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    0.1868   -0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -1.3327    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493    0.3018    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012   -0.8906    1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.2932   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426    1.4078   -1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937    0.1932   -0.7045 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