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
3.3389 0.2240 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0478 0.2686 0.7915 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1605 -0.0300 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 -0.3359 -1.4687 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2316 0.0137 -0.1574 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0821 -0.2684 -1.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -0.5644 -2.3190 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5334 -0.2359 -1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1384 0.0680 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7447 -0.0318 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9929 0.4435 1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6544 0.5273 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1341 -0.4679 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6082 0.3113 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2116 0.0778 0.0906 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