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
3.9583 0.0751 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1001 -0.8949 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7421 -0.8616 0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 0.2419 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4774 1.3652 0.3234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5204 0.1693 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2771 1.3113 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 1.2443 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3064 0.0367 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 -1.1031 -0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1473 -1.0454 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0472 -0.1483 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6795 1.1093 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5783 -1.9027 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8061 2.2915 0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2843 2.1443 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3960 0.0156 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0008 -2.0693 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 -1.9793 -0.1807 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