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
    0.2705   -2.7654    0.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -1.6192    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6004   -0.8260    0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006    0.5032    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564    1.5105    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189    0.5458   -0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9173    1.6023   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -0.8616   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9485    1.5478   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    2.5580    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5320   -1.0974   -0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2079   -1.0981   -1.4897 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