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
2.5636 0.9086 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4759 -0.3339 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1754 -0.9641 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1122 -2.1603 0.6559 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -0.2718 -0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2535 -0.8353 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2921 -2.0193 0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4858 -0.1108 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4906 1.1373 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 1.4799 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5002 1.4164 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3867 -0.8756 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4210 -0.6286 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5312 1.6254 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4100 1.6321 -0.7683 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