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
   -2.9520   -0.2020    0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476    0.0889    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217    1.3412    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1507    1.3505    0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725    2.3694    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    0.0243   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.3194   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830   -0.8012   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    0.3890   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343   -1.3230   -0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974   -1.6635    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8663   -1.2542   -1.2279 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