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
-2.7236 -0.3290 -1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8537 -0.4865 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2031 0.6884 0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2091 0.6752 0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9746 -0.3586 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3153 -1.2431 1.4598 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4148 -0.4118 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1107 0.5056 0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2305 -1.1580 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9881 0.6622 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6240 -1.4612 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5859 1.6282 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5125 0.7097 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9284 -1.2315 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1856 0.4806 0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5827 1.3300 -0.3128 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