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
-2.5189 -0.4612 2.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2014 -0.2811 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9414 -0.7778 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2182 0.3284 -0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0131 0.0998 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3929 -1.0917 -0.9447 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 1.1854 -1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9861 0.8843 -1.9822 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4244 -0.1146 2.4665 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8185 -1.0002 2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9177 0.2530 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 -1.3940 0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2168 -1.3897 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4785 2.2250 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3035 -0.1369 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6070 1.6715 -2.3887 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