Monomers

Vinyl carbanilate

Identifiers

IUPAC name
ethenyl N-phenylcarbamate
InchI
InChI=1S/C9H9NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h2-7H,1H2,(H,10,11)
InchI Key
JQNHVGUIRIXTOS-UHFFFAOYSA-N
SMILES
C=COC(=O)Nc1ccccc1
Canonical SMILES
C=COC(=O)NC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)NC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H9NO2
Heavy Atom Count
12
Molecular Weight
163.176
Exact Molecular Weight
163.0633
Valence Electrons
62
Radical Electrons
0
tPSA
38.33
MolLogP
2.3786
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
   -4.8876   -1.0453   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7885   -0.3617   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5580   -0.9785   -0.2194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620   -0.2227   -0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5187    0.9816    0.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110   -0.8125   -0.2463 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214   -0.1373   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3060    1.1982    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5393    1.8171    0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6868    1.0656    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502   -0.2860   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -0.8702   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8673   -0.5926   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9067   -2.1063   -0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492    0.6891    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935   -1.8471   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    1.8452    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6193    2.8874    0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311    1.5547    0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706   -0.8465   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402   -1.9322   -0.4147 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers