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
    4.0134    0.8769   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0823    0.0926   -0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7919    0.2377   -0.2034 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614   -0.5470   -0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.4003   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5763   -0.3449   -0.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -1.0917   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288   -0.8946   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685    0.0651    0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1130    0.8232    1.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283    0.6137    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    0.7966   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7908    1.6312    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3676   -0.6338   -1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4630   -1.8411   -1.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7634   -1.4842   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1493    0.2602    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456    1.6027    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    1.2377    1.1588 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