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
-2.5044 -1.1866 0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6517 -0.4435 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 0.9437 0.3186 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 1.3845 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0851 2.5684 -0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 0.2003 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8323 0.1226 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4378 -0.9198 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4597 0.9853 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3516 -0.8216 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6269 -0.9488 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0632 -1.8844 0.0747 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