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
-2.7633 -0.4464 1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6560 -0.5831 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3627 -0.3782 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1851 -0.4915 -1.8928 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2388 -0.0399 0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 0.1638 -0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1522 0.0423 -1.7088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1806 0.5167 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3236 0.6916 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8974 -0.1863 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7417 -0.6013 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4818 -0.8431 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0762 0.6270 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3950 0.5779 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 0.9505 0.2823 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