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
-3.4131 0.3627 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2049 0.4122 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0493 -0.0287 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2084 -0.4720 1.6948 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2422 0.0165 -0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3474 -0.4200 0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 -0.8429 1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 -0.3846 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9074 0.0649 -1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5298 -0.0122 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2710 0.7097 -0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0609 0.7887 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5069 -0.7265 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8889 0.1185 -1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0752 0.4137 -1.6336 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