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
3.9985 -0.1031 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9987 -0.1662 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 0.1788 -0.8388 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -0.7140 -0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 -1.9066 -0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5805 -0.2386 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5208 -1.0962 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7926 -0.6426 0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1118 0.7036 0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 1.5800 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9289 1.0861 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0126 -0.3711 -0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8367 0.2266 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1723 -0.4960 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 -2.1394 0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5042 -1.3452 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0900 1.0779 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4789 2.6061 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1917 1.7600 -0.5907 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