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
   -2.8871   -0.0768    0.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.2693   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440    1.5321    0.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2443    1.3873    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    2.3226    0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -0.0342    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537   -0.6512    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -0.6386   -0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4899   -0.0969    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936   -1.7214    0.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395   -0.6108   -1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -1.6816   -0.1593 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