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
4.1870 0.1938 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1425 -0.5359 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8675 0.0075 0.1891 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 -0.7508 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9564 -1.9450 0.8377 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6037 -0.2325 0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8822 1.0655 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1743 1.5502 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2291 0.7155 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 -0.5877 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6763 -1.0402 0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1909 -0.2039 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0763 1.2219 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2778 -1.5648 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0541 1.7157 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3903 2.5834 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2467 1.1194 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7964 -1.2473 0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4302 -2.0648 1.0402 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