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
3.0643 -0.8561 -0.2308 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9615 -0.2691 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -0.8993 -0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2442 0.0317 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4103 1.3224 0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1231 2.4509 0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7714 1.0867 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7317 -0.1877 0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4241 -1.9775 -0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0549 -0.0077 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1928 0.5451 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9472 -1.2395 -0.2585 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