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
    3.1404   -0.7977    0.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -0.2288    0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6900   -0.8564   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.0537   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736    1.3434    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645    2.4340    0.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7458    1.1338    0.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7397   -0.2443   -0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5714   -1.9353   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2123    0.2992    0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9036   -1.3067    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1303    0.1052   -1.1129 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