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
3.0607 -1.2971 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 -0.3820 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.7677 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 -1.9809 -0.4134 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1781 0.1655 0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5065 -0.1879 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8508 -1.3909 0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5049 0.8062 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2132 2.0912 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8015 -2.3591 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1046 -1.0764 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5172 0.6428 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5177 0.4811 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2067 2.4312 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9641 2.8241 0.9314 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