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
3.5956 0.1700 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4871 -0.5187 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2240 0.1540 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1866 1.3786 -0.1135 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 -0.5316 0.2122 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2064 0.0963 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1396 1.3319 -0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4826 -0.5772 -0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5833 0.0814 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5754 1.2106 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5341 -0.3061 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5094 -1.5760 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5182 -1.6164 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5550 -0.4272 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6298 1.1305 -0.5118 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