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
   -4.3728   -1.1088   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824    0.0980    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7987    0.4884   -0.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5038    0.2147   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3986   -0.3609    0.7865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595    0.5676   -1.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746    0.3375   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    0.9193   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    0.7513   -1.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7120   -0.0003   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7703   -0.5856    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3978   -0.4095    0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9782   -1.7784   -0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1916   -1.4381    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3042    0.7298    0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5666    1.0563   -1.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582    1.5120   -2.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0491    1.1964   -1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7677   -0.1295    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -1.1797    1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867   -0.8806    1.0349 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