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
2.8560 1.7503 0.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8832 1.2444 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8384 0.4346 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8933 0.2362 1.8835 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1935 -0.1054 -0.1104 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2018 -0.8784 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1826 -1.0996 1.6819 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2861 -1.4477 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2821 -1.1978 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8454 1.5430 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6115 2.3433 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8630 1.4370 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0402 -2.0356 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0893 -1.6213 -2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5152 -0.6030 -2.1015 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