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
2.9301 0.5686 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6014 -0.6894 -0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1956 -1.0468 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8440 -2.2400 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.0905 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1218 -0.2943 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5211 -1.4681 0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0244 0.8356 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3154 0.6853 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.3321 -0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9800 0.8193 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3831 -1.4578 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 1.8175 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9939 1.5240 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7231 -0.2956 0.3169 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