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
-3.5871 0.4189 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3855 0.8858 0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2262 0.0552 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3879 -1.1238 0.6458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0789 0.4696 0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 -0.3571 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 -1.5380 0.6275 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5136 0.1510 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5863 -0.5969 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4592 1.0302 0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7370 -0.6103 0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2642 1.8948 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6619 1.1685 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4393 -1.6081 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5868 -0.2396 -0.0294 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