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
3.1996 -0.5253 0.0472 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -0.0972 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7569 -0.8212 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 0.0074 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2815 1.3618 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4444 2.3888 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6655 1.2503 0.0641 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7288 -0.3517 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6807 -1.8951 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2956 0.4837 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8450 -1.2518 -0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -0.5497 1.0103 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