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
3.1633 -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