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
3.4622 0.5664 -0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4841 -0.2478 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1313 0.2427 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4869 -0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.5915 0.1693 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1833 -0.0560 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3059 1.1836 0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 -0.8676 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4921 -0.2775 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2402 1.6150 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4731 0.2420 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7351 -1.3094 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2620 -1.9421 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3693 -0.8311 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6001 0.7863 0.7904 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