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
2.9346 0.3449 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6325 -0.5438 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 -0.7071 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0762 -1.5745 -0.8341 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2120 0.0615 0.4631 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0736 -0.1158 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1801 -1.0106 -0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2038 0.6886 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3760 0.4676 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9357 0.4172 1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1731 0.9803 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4054 -1.2163 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0926 1.4525 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5012 -0.2909 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2312 1.0464 0.1335 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