Monomers

Citraconic anhydride

Identifiers

IUPAC name
3-methylfuran-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h2H,1H3
InchI Key
AYKYXWQEBUNJCN-UHFFFAOYSA-N
SMILES
O=C1C=C(C(=O)O1)C
Canonical SMILES
CC1=CC(=O)OC1=O
Isomeric SMILES
CC1=CC(=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
    3.0133   -1.1027   -0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9403   -0.4277   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5940   -0.9414    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489    0.0768    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815    1.3101   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0217    2.4614   -0.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8115    0.9398   -0.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348   -0.0654    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -1.9893    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459   -0.1665   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0982    0.8368    0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9713   -0.9319    0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  1  0
  7  2  1  0
  3  9  1  0
  8 10  1  0
  8 11  1  0
  8 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers