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
    4.5170   -0.3905    0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    0.3020   -0.3616 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7169   -0.1996   -0.9013 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745    0.1105   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    0.8464    0.6655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2567   -0.3770   -0.8484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0372   -0.1336   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3521    0.6329    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748    0.8255    1.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6714    0.2192    0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009   -0.5608   -0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0925   -0.7277   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4273   -0.0275    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1170   -1.3237    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3161    1.2570   -0.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3869   -1.0025   -1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5911    1.1265    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219    1.4341    1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6957    0.3617    0.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363   -1.0109   -1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9218   -1.3619   -1.9248 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