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
    5.0149   -0.1326    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146    0.3744    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.4345    0.1958 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    0.0839    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103    1.3015   -0.1756 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.7179    0.0558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0845   -0.3096   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5219    0.9664   -0.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8693    1.2918   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8265    0.3018   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005   -0.9858   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0892   -1.2797   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060   -1.1940    0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980    0.4887    0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7222    1.4342   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4570   -1.7428    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407    1.7679   -0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1573    2.3184   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8860    0.5426   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1687   -1.7452   -0.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -2.3294    0.1470 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