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
    4.5896   -0.8188   -0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8908    0.1305    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    0.6618   -0.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1377    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366   -0.8199    0.8651 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    0.6670   -0.4513 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120    0.1917   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669   -0.8554    0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981   -1.2524    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7096   -0.5965    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006    0.4550   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0949    0.8323   -0.8190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.2557   -1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4806   -1.1746    0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    0.5869    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    1.5028   -1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6360   -1.4142    1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9154   -2.0944    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7453   -0.8671    0.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106    0.9772   -1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9224    1.6724   -1.4818 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