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
-2.7487 -0.7589 0.4748 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7313 -0.1014 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 1.2074 0.4755 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0143 1.3565 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 2.4078 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5459 0.0510 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -0.3859 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6036 -0.6359 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5426 0.2035 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0709 -1.3738 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 -1.7289 -0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6667 -0.2414 -1.6709 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