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
-3.6228 0.0410 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4792 -0.4402 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 0.1150 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1905 1.0852 -1.0299 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0014 -0.4029 0.2457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2404 0.1137 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2190 1.0851 -0.9163 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4922 -0.4314 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6140 0.1331 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5823 0.8848 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5839 -0.3437 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5550 -1.2886 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4646 -1.2640 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5546 -0.2529 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6219 0.9659 -0.7053 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