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
3.0118 -1.4561 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1419 -0.6074 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7319 -0.7815 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3367 -1.7257 0.8148 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1684 0.1219 -0.4418 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5358 0.0528 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9607 -0.8835 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4757 1.0105 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0339 1.9900 -1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0519 -1.3205 0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6669 -2.2641 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4901 0.2136 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5411 0.8774 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7226 2.6902 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9928 2.0822 -1.7398 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