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
3.5975 0.2647 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4194 0.7716 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2323 0.0136 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3077 -1.1074 -0.7845 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0578 0.4970 0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1886 -0.2588 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0425 -1.3685 -0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.2264 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5642 -0.4946 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6923 -0.6875 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4738 0.8228 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 1.7304 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6408 1.1812 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4308 -1.4478 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5645 -0.1432 -0.2323 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