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
-3.5531 -0.0296 -0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5187 -0.4178 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 0.0649 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 0.8350 -1.3989 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0580 -0.3033 0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2085 0.1354 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3685 0.9067 -1.0286 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3803 -0.2689 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5876 0.1401 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5679 -0.3341 -0.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4041 0.6304 -1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6805 -1.0808 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2467 -0.9286 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 0.8120 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4469 -0.1614 0.9644 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