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
    2.7180    0.9875   -0.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4699    0.9027   -0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7267    1.6685    0.6002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564    0.9780    0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022    1.3547    1.6578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4568   -0.2792    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026   -1.3416    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5521   -0.0735   -0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9085   -1.3641    1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1469   -2.2428   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0550    0.4228   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516   -1.0129   -1.1909 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