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
    3.9175   -0.5210    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1283   -0.5748   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624   -0.6525   -0.5149 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    0.4600   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    1.5786   -0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5210    0.3141   -0.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0843   -0.9407   -0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4389   -1.1308   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2480   -0.0199    0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    1.2308   -0.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355    1.4225   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4963   -0.5374    1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9763   -0.4610    0.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -0.5589   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4614   -1.8225   -0.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8676   -2.1421   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3130   -0.1583    0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3537    2.0916   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221    2.4224   -0.2753 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