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
-3.3830 0.1481 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1128 0.4830 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0654 -0.3455 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -1.3965 0.8694 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2551 0.0559 0.0877 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.6991 0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9268 -1.7482 1.2658 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6591 -0.3005 0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9291 0.8035 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1581 0.7529 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6493 -0.7520 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8765 1.3825 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4744 -0.8919 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9573 1.1399 -0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1067 1.3681 -0.5858 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