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
-2.9680 0.2649 -1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6857 -0.3157 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3229 -0.4466 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0772 -0.9982 1.6448 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2219 0.0271 -0.1687 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0835 -0.1003 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2178 -0.6695 1.4187 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2176 0.4012 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4352 0.2624 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2200 0.6765 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9967 0.3353 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4725 -0.7142 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0942 0.8846 -1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5993 -0.2255 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3174 0.6181 -0.5026 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