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
-3.6125 0.1314 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 0.5218 -0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2085 -0.0126 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2791 -0.8815 1.1935 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 0.4067 -0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1823 -0.1351 0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0493 -0.9910 1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5220 0.2328 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5865 -0.3047 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5300 0.5293 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6510 -0.6201 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 1.2531 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6454 0.9623 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5892 -0.0436 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4950 -1.0489 1.2702 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