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
-3.3727 0.1389 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1907 0.5352 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0438 -0.3228 -0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1385 -1.4595 -0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 0.0454 0.1463 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 -0.7482 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2418 -1.8717 -0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6659 -0.3149 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8372 0.8609 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5666 -0.8128 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2554 0.7776 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0754 1.4896 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5152 -0.9740 0.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8024 1.1585 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9877 1.4979 1.1344 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