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
3.1336 0.3701 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5822 -0.8055 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1308 -1.0080 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6045 -2.1471 0.0777 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2521 0.0699 -0.0915 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1198 -0.1357 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5652 -1.3314 -0.1013 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0687 0.9584 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3664 0.7497 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2054 0.4561 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5500 1.2595 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1812 -1.7189 0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 1.9602 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7789 -0.2490 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0607 1.5717 -0.4393 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