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
    2.8302   -0.4416   -0.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175    0.0661   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    1.3238   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1700    1.3530   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9716    2.3146   -0.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.0133    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456   -0.5699   -0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811   -0.5589    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -1.5745    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124   -0.1015   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794   -0.1658    1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954   -1.6586    0.5599 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