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
3.0134 0.8590 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6657 -0.4092 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2727 -0.8110 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9805 -2.0276 0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 0.1215 0.0937 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -0.2928 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 -1.5340 0.2691 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2035 0.6518 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4209 0.1962 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0357 1.1311 -0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 1.6035 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4070 -1.2096 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0485 1.7165 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5812 -0.8731 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2463 0.8775 0.5357 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