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
   -1.0660    0.3975   -2.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076    0.5206   -1.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.7754   -1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    0.3482   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5277    0.4015    0.3434 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2054   -0.2085    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238   -1.0666    1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    0.4187   -0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162   -1.3827    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0438   -1.4632    1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8640   -0.1966   -0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1276    1.4559    0.1461 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