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
   -2.7505   -0.2006    0.9235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6558    0.2230    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0053    1.4120    0.7487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3537    1.3038    0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2552    2.1705    0.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477   -0.0445   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974   -0.7236   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -0.4897   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7338   -1.7222   -0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6043   -0.2648    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9296   -1.5841   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0498   -0.0798   -1.5489 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