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
-3.4423 -0.1499 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2318 0.3475 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 -0.4559 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2417 -1.6681 -0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.0627 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3414 -0.6755 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2014 -1.8923 -0.5369 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6767 -0.0997 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9148 1.1699 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2624 0.4852 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6016 -1.1830 0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 1.3878 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5177 -0.7252 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0998 1.8293 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9145 1.5672 -0.0464 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