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
-3.3799 -0.3362 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1599 -0.5051 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0706 0.1503 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 0.8551 1.3382 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2212 -0.0114 -0.1441 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3284 0.5691 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0948 1.2681 1.4887 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6769 0.3870 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9169 -0.3404 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2351 -0.7871 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6058 0.2666 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0073 -1.1028 -1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4900 0.8593 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -0.8109 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 -0.4616 -1.4456 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