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
3.6037 0.0787 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4390 0.3160 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 -0.0341 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2686 -0.5679 1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0086 0.2092 -0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1991 -0.1175 0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2042 -0.6560 1.3234 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4754 0.1514 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6161 -0.1523 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 -0.3815 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5192 0.3444 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3975 0.7739 -1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 0.6124 -1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5887 -0.6149 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5803 0.0382 -0.3061 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