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
    3.0650   -0.9081   -0.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.3360   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -0.9133   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2541    0.0410    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4411    1.2857    0.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    2.3668    0.5931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8035    0.9874    0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7372   -0.1265   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4359   -1.9390   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -1.1155   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392    0.7154   -0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -0.0579    1.0307 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