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
2.2936 2.5009 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 1.9243 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 0.5242 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 -0.1793 0.0413 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2285 -0.1155 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3346 -1.4461 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 -2.1179 0.5158 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6123 -2.1253 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7076 -1.4408 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2160 1.9721 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3711 3.5412 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1955 2.4612 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6720 -3.1761 0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6594 -0.4137 -0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 -1.9092 0.2464 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