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
-2.6344 0.9174 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4677 -0.3821 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1569 -1.0017 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0863 -2.2395 -0.1434 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 -0.3020 0.1538 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2828 -0.8586 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3398 -2.1049 -0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5093 -0.0814 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5019 1.2210 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7530 1.5337 0.4118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5995 1.3571 0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3539 -0.9936 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4705 -0.5635 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3908 1.7946 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5366 1.7033 0.4647 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