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
-3.5832 0.2803 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3668 0.6398 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2030 0.0393 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3866 -0.8285 0.7233 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0949 0.4027 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1699 -0.1952 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9174 -1.0581 0.9874 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 0.1389 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5354 -0.4711 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4538 0.7217 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7495 -0.4647 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 1.3856 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8004 0.8690 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3100 -1.2262 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5564 -0.2337 0.1886 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