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
    3.0543   -1.0155   -0.1883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671   -0.3579   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   -0.9053   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    0.0559   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715    1.2838    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    2.4107    0.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8288    0.9934    0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7539   -0.0987   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -1.9517   -0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773    0.2936   -0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9815   -1.1777    0.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1327    0.4694    0.8367 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