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
   -2.6295   -0.1561    1.3380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781    0.2333    0.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    1.4714    0.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301    1.3543    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.2545    0.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341   -0.0063   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653   -0.6060   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8219   -0.6085   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050   -0.0809   -0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7092   -1.6278   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2470   -0.5493   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193   -1.6786    0.0510 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