Monomers
Itaconic anhydride
Identifiers
IUPAC name
3-methylideneoxolane-2,5-dione
InchI
InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InchI Key
OFNISBHGPNMTMS-UHFFFAOYSA-N
SMILES
O=C1OC(=O)C(=C)C1
Canonical SMILES
C=C1CC(=O)OC1=O
Isomeric SMILES
C=C1CC(=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
-2.9334 0.0911 -0.1063 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7168 0.3603 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0503 1.5600 -0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3112 1.3760 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2265 2.2348 0.2093 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5534 -0.0534 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6572 -0.7347 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6990 -0.6204 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -1.7823 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5273 -0.2404 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8631 -1.6146 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6978 -0.5765 -1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
8 2 1 0
7 9 1 0
7 10 1 0
8 11 1 0
8 12 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers