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
3.4219 -0.5512 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1701 -0.5257 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0836 -0.0346 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4046 0.3811 1.6556 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2379 -0.0076 0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 0.4657 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8869 0.8687 2.0458 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6335 0.5158 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0459 0.1073 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2030 -0.9164 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -0.1994 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8705 -0.8775 -1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3594 0.8999 1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0854 0.1568 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 -0.2830 -1.4000 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