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
    3.1633   -0.6557   -0.0391 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188   -0.1166   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7431   -0.8163   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    0.0227   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3135    1.3534    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286    2.4427    0.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061    1.2285    0.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339   -0.3116   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.9005   -0.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1565   -0.2174   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    0.3333    0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8489   -1.3625    0.3015 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