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
   -1.0840   -1.1543    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2370    0.0579   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802    1.2105   -0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2028    0.0039    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985   -1.0908    0.5653 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0425    1.0749    0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281   -0.9042    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4764   -1.9066    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4407   -1.5636   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630    1.2233   -0.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1610    2.0761   -0.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    0.9730   -0.2651 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