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
-2.4789 1.2011 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4705 -0.0724 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 -0.8474 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2979 -2.0775 0.5035 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0117 -0.2654 0.2118 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 -1.0149 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 -2.2506 0.6779 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4817 -0.3946 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5812 0.8955 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 1.8063 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4181 1.7049 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4073 -0.6154 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3672 -0.9561 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5475 1.3966 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7153 1.4901 -0.0449 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