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
-3.6037 -0.2796 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5039 -0.2389 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -0.0863 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1544 0.0088 -1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0261 -0.0371 0.2587 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2051 0.1060 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 0.2004 -1.5789 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4564 0.1572 0.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6339 0.2954 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5629 -0.1980 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5762 -0.3927 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5548 -0.3192 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4099 0.0769 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5399 0.3280 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7068 0.3791 -1.2278 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