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
-2.8497 1.2137 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6923 -0.0862 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 -0.6710 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2266 -1.9177 -0.1983 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2116 0.0905 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0565 -0.4967 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1147 -1.7488 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2175 0.3607 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4040 -0.1845 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0158 1.9079 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8223 1.6320 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5522 -0.7250 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1372 1.4263 -0.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2655 0.4670 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5470 -1.2683 0.1814 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