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
   -2.4941   -0.8476    1.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901   -0.1682    0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772    1.1255    0.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1123    1.3423    0.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    2.3903    0.5657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338    0.0923   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7536   -0.3477   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392   -0.6062   -0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6219    0.2095   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899   -1.3062   -0.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6253   -1.6976   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1123   -0.1864   -1.4493 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