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
3.7167 1.0053 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0684 0.6507 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6930 0.6895 0.3846 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9817 -0.4301 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5719 -1.4843 -0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 -0.3645 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2105 -1.4779 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5809 -1.3813 -0.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1756 -0.2092 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4418 0.8951 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 0.7876 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1841 1.3326 -1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7983 0.9961 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5909 0.3289 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -2.3831 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1862 -2.2553 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2632 -0.1872 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9524 1.8117 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5141 1.6754 0.7380 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