Monomers
Allyl acrylate
Identifiers
IUPAC name
prop-2-enyl prop-2-enoate
InchI
InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h3-4H,1-2,5H2
InchI Key
QTECDUFMBMSHKR-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C=C
Canonical SMILES
C=CCOC(=O)C=C
Isomeric SMILES
C=CCOC(=O)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H8O2
Heavy Atom Count
8
Molecular Weight
112.128
Exact Molecular Weight
112.0524
Valence Electrons
44
Radical Electrons
0
tPSA
26.3
MolLogP
0.9016
H Bond Acceptors
2
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
16 15 0 0 0 0 0 0 0 0999 V2000
-2.4440 1.0111 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9099 -0.0082 0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3686 -1.1423 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0027 -1.2392 0.0966 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8825 -0.2212 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4228 0.8415 -0.6415 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.3788 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1310 0.6112 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4633 0.9735 -1.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8591 1.8765 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8592 -0.0318 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4536 -0.9254 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 -2.0728 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 -1.3076 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 1.5364 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1660 0.4770 0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
2 11 1 0
3 12 1 0
3 13 1 0
7 14 1 0
8 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers