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
-3.2814 1.0027 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2832 0.1596 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9298 0.6679 0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6992 1.9158 0.0246 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1829 -0.1553 0.0919 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4738 0.3310 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6334 1.5695 -0.1759 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 -0.5544 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5135 -1.8712 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2794 0.6336 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1049 2.0512 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 -0.9118 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6049 -0.0902 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4078 -2.4685 -0.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5315 -2.2799 0.1181 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