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
    4.4936    0.4019    0.9268 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8905    0.0771   -0.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -0.7194   -0.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -0.0858   -0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    1.1564   -0.0575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -0.8528   -0.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -0.3544   -0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900    0.9378   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368    1.2940    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7246    0.3347   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549   -0.9755   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230   -1.3123   -0.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0755    0.0176    1.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3729    1.0227    0.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2785    0.4400   -1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711   -1.9055   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6769    1.7143    0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0066    2.3542    0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7803    0.5770    0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047   -1.7621   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7805   -2.3600   -0.2652 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