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
    4.3256    1.0917    0.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541   -0.0128    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6790   -0.5423    0.6425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4462   -0.1608    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4940    0.6644   -0.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969   -0.7509    0.6189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0045   -0.4386    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835   -1.2655    0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3543   -1.0141    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6175    0.0657   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924    0.8988   -1.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168    0.6263   -0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2485    1.5587    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161    1.6134    1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3929   -0.4856   -0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -1.4464    1.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -2.1030    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513   -1.6608    0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6139    0.2972   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8321    1.7480   -1.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5573    1.3166   -0.9947 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