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
3.5870 0.0021 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4653 0.1607 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2192 -0.0214 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1935 -0.3336 1.4172 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 0.1393 -0.4675 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1861 -0.0357 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1243 -0.3433 1.4396 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 0.1140 -0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5765 -0.0658 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5908 -0.2592 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5303 0.1288 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4460 0.4226 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5468 0.3761 -1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5630 0.0441 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5570 -0.3287 1.3645 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