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
-1.5283 -0.8714 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 0.0272 2.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4836 -0.3703 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1219 -1.5608 1.0649 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 0.5631 0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5644 0.1020 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9023 -1.1081 -0.9666 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 1.0451 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6072 0.6105 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0874 -0.5938 4.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2292 -1.9035 3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 1.0656 2.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 2.0799 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9138 -0.4049 -3.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8791 1.3194 -3.7765 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