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
3.5825 0.5614 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4761 0.0436 -0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1943 0.2329 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1347 0.9229 0.9159 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0097 -0.2814 -0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2131 -0.0958 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2020 0.6031 1.0823 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4536 -0.6543 -0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5791 -0.4381 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5735 1.1625 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5324 0.4141 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5261 -0.5342 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4185 -1.2355 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6394 0.1431 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5237 -0.8444 -0.2040 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