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
3.0801 -0.4248 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5870 0.7891 0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1380 1.0457 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7152 2.2296 0.1197 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2327 -0.0010 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 0.1662 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5785 1.3455 -0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0739 -0.9383 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3668 -0.7358 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1427 -0.6044 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4601 -1.3206 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 1.6218 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6514 -1.9460 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7232 0.2923 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1024 -1.5192 -0.3170 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