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
   -1.5729    2.1927    1.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038    1.5212    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662    1.7390    0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    0.5488    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    0.3178   -0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2834   -0.4761   -0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971   -1.7962    0.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    0.2929   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977   -2.3951   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -2.2693    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722   -0.2349   -0.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348    0.5591   -1.4679 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