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
-3.6321 -0.2048 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4480 0.3456 -0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2175 -0.2780 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2110 -1.3828 0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0045 0.3512 -0.2625 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2083 -0.1309 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2073 -1.2541 0.7478 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4483 0.5948 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6191 0.1426 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5172 0.2738 -0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7125 -1.1510 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3827 1.3029 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3959 1.5414 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7054 -0.8138 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.6632 0.1214 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