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
3.2581 0.2817 -1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 0.0769 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1246 0.0052 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 0.1391 1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2461 -0.2083 -0.0339 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0365 -0.2739 1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4577 -0.1309 2.2017 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4713 -0.4969 1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1277 -0.6537 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9265 0.3431 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6912 0.3966 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5681 -0.0342 -2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0380 -0.5392 1.9736 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5917 -0.6172 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1923 -0.8195 -0.1152 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