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
-2.9953 -0.3186 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5859 0.7537 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2099 0.9163 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8152 1.9426 0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 -0.0564 -0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0782 0.1366 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4205 1.1981 0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0961 -0.8613 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3418 -0.7073 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2913 -1.1134 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0270 -0.3898 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2857 1.5378 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8150 -1.7836 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6015 0.1944 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0883 -1.4493 0.0699 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