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
    4.6042    0.1823    0.5824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8493    0.6109   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170   -0.0514   -0.8426 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    0.2061   -0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.0639    0.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -0.4564   -0.7410 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -0.2813   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4221    0.5911    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7523    0.7031    1.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103   -0.0732    0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3381   -0.9612   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212   -1.0565   -0.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3228   -0.7510    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4774    0.6745    0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1180    1.5249   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4506   -1.1796   -1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985    1.2179    1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0360    1.3985    1.8506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7571    0.0024    0.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121   -1.5822   -0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7876   -1.7829   -1.6436 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