Monomers
Vinyl benzoate
Identifiers
IUPAC name
ethenyl benzoate
InchI
InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KOZCZZVUFDCZGG-UHFFFAOYSA-N
SMILES
C=COC(=O)c1ccccc1
Canonical SMILES
C=COC(=O)C1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.9869
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
4.0324 -0.9179 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1768 -0.1796 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -0.3450 0.3182 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 0.4185 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3657 1.2762 -1.1835 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5459 0.2859 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 1.0805 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7438 0.9685 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2748 0.0408 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 -0.7587 0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0735 -0.6252 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6701 -1.6474 1.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0887 -0.8014 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5151 0.5835 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9737 1.8044 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4337 1.5919 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3691 -0.0235 0.1696 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 -1.4858 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4279 -1.2658 1.2318 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 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers