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
3.3997 0.5083 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 0.8099 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1078 -0.2045 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4416 -1.3578 0.5778 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2458 0.0611 0.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1924 -0.9167 0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8384 -2.0758 0.7286 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6187 -0.6435 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0574 0.5424 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6664 -0.4871 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1325 1.2695 -0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 1.7943 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3696 -1.3912 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0969 0.7808 -0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 1.3103 -0.3697 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