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
-3.0788 -0.3510 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5899 0.7129 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1530 0.8851 0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6565 1.9102 0.8989 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -0.0214 -0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1301 0.1314 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5535 1.1639 0.4761 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 -0.8527 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3450 -0.6350 -0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4160 -1.0867 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1432 -0.4746 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2374 1.4685 0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 -1.7424 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7101 0.2449 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0340 -1.3531 -0.9369 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