Monomers

Itaconic anhydride

Identifiers

IUPAC name
3-methylideneoxolane-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InchI Key
OFNISBHGPNMTMS-UHFFFAOYSA-N
SMILES
O=C1OC(=O)C(=C)C1
Canonical SMILES
C=C1CC(=O)OC1=O
Isomeric SMILES
C=C1CC(=O)OC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H4O3
Heavy Atom Count
8
Molecular Weight
112.084
Exact Molecular Weight
112.016
Valence Electrons
42
Radical Electrons
0
tPSA
43.37
MolLogP
0.0161
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.9004   -0.4411    0.3796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7489    0.0335    0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3276    1.3554    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    1.4348    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7954    2.4587    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5466    0.0479    0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890   -0.3495    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6017   -0.8087   -0.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548    0.3588    0.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -1.3705    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6550   -0.9430   -1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552   -1.7763    0.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  8  2  1  0
  7  9  1  0
  7 10  1  0
  8 11  1  0
  8 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers