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
-3.3920 0.2561 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1054 0.4732 -0.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -0.1615 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5277 -0.9257 1.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2377 0.0350 -0.0604 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1771 -0.5634 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7843 -1.3214 1.6845 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6102 -0.3490 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1069 0.4363 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7647 -0.3890 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1082 0.7301 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7919 1.1287 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2914 -0.8450 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 0.9242 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1631 0.5715 -0.4151 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