Monomers
Acrylic anhydride
Identifiers
IUPAC name
prop-2-enoyl prop-2-enoate
InchI
InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
InchI Key
ARJOQCYCJMAIFR-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(=O)C=C
Canonical SMILES
C=CC(=O)OC(=O)C=C
Isomeric SMILES
C=CC(=O)OC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H6O3
Heavy Atom Count
9
Molecular Weight
126.111
Exact Molecular Weight
126.0317
Valence Electrons
48
Radical Electrons
0
tPSA
43.37
MolLogP
0.4282
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
3.3744 -0.6288 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0972 -0.8526 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 0.1053 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 1.1586 0.7887 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2758 -0.1204 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1624 0.8666 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7295 1.9036 1.0473 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5948 0.7344 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0844 -0.3285 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1508 -1.3251 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6759 0.2783 0.4596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8053 -1.7769 -0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 1.5019 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1524 -0.4278 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 -1.0885 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 2 3
1 10 1 0
1 11 1 0
2 12 1 0
8 13 1 0
9 14 1 0
9 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers