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
   -1.6884   -2.2693    0.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278   -1.5520    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6221   -1.6746    0.5861 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779   -0.4808    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -0.2106    0.5821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2696    0.4927   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3132    1.8041    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503   -0.3557   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5104    2.3776   -0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    2.3045    0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8227    0.1470   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -0.5828   -1.6244 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