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
    4.0049    0.8609   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1470   -0.1382    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    0.1402    0.0700 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158   -0.8281    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1566   -2.0331    0.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5771   -0.3979    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5772   -1.3698    0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -0.9644    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2407    0.3753    0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149    1.3023    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875    0.9430    0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    1.9006   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    0.6997   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211   -1.1376    0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2833   -2.4015    0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954   -1.7009    0.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2796    0.7056    0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462    2.3634    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986    1.6805    0.0125 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