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
-3.5857 -0.2906 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3799 -0.8123 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.0162 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3247 1.2276 0.1195 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0769 -0.4908 -0.2689 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 0.3016 -0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0008 1.5048 0.2866 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5241 -0.2892 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5529 0.5001 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7319 0.7498 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4783 -0.8638 -0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2623 -1.8488 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6558 -1.3255 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5427 0.0840 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4416 1.5369 0.3950 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