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
   -2.7097   -0.8533    0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7160   -0.2010    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036    1.1684    0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1352    1.4295    0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473    2.5504    0.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    0.1405    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -0.1593    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100   -0.8160   -0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -1.1737    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319    0.5777    0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882   -0.8212   -1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263   -1.8420   -0.0604 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