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
   -2.8888   -0.4285    0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0093   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3400    1.3367   -0.1507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590    1.4334   -0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849    2.4634   -0.1440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651    0.0753    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255   -0.3464    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -0.7892   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081    0.3150    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9502   -1.4026    0.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326   -1.7920    0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513   -0.8744   -1.5258 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