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
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
3.1369 -0.6812 0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 -0.1503 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7134 -0.8361 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 0.0297 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3017 1.3612 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 2.4695 0.0528 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 1.2041 0.1427 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7375 -0.3085 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6544 -1.9345 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0005 -0.9186 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8491 -0.8648 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3266 0.6296 -0.0970 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