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
   -0.7905    0.8555    0.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696   -0.1479   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077   -0.8335   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1556   -0.4109   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5501   -1.2681   -1.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    0.2896    0.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8729    0.9061    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921    0.5164    1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3514    1.8565    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770   -0.6276   -0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577   -1.5752   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0053    0.4391    0.0191 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