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
3.6324 -0.2239 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5044 0.0966 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2151 -0.1251 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1679 -0.6337 1.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0162 0.1971 -0.4469 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2122 0.0009 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -0.5093 1.2903 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4736 0.3490 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6408 0.1434 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5699 -0.0642 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6286 -0.6617 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5633 0.5300 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4444 0.7847 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5642 0.4045 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 -0.2884 1.0710 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