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
    4.9902    0.2346    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -0.1209    0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6730    0.4484   -0.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3671    0.0158    0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -0.8249    0.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2443    0.5435   -0.5987 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0900    0.1794   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -0.9107    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8011   -1.1739    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7901   -0.3541    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4209    0.7452   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1095    1.0249   -0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8234   -0.1962    0.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2256    0.9516   -0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5906   -0.8450    1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    1.2638   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130   -1.6181    0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705   -2.0567    1.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8486   -0.5789    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2336    1.3900   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377    1.8822   -1.3567 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