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
2.9497 -0.7176 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6446 0.0593 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2690 0.4079 -0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0218 1.1526 -1.7981 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -0.0776 0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0673 0.2558 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2830 0.9945 -1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1635 -0.2294 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3951 0.1263 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1782 -1.1070 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9587 -0.9890 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4595 0.4256 -1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0205 -0.8637 1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2231 -0.2027 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5862 0.7650 -0.5799 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