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
    2.8406   -0.0343   -0.9819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054    0.2432   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3406    1.3259    0.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245    1.2223    0.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    2.0330    1.4553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5168   -0.0171    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965   -0.5074    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059   -0.5958   -0.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0564   -1.4524    0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3504    0.0048    1.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011   -1.6684   -0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1146   -0.5537   -1.7363 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