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
2.9131 0.6215 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6888 -0.3864 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3327 -0.7181 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0811 -1.6693 -1.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2363 0.0220 -0.0276 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 -0.2602 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2865 -1.2124 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 0.5479 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4102 0.2699 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9231 0.8501 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1262 1.2425 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4894 -0.9951 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9885 1.3749 0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2310 0.8578 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6082 -0.5450 -0.9370 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