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
    4.5414    0.1587    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    0.7943   -0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6804    0.1648   -0.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4267    0.2939   -0.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3921    0.9527    0.6947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -0.3071   -0.8673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0356   -0.2520   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104    0.5244    0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7100    0.5380    1.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6439   -0.2585    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3260   -1.0655   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381   -1.0444   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3879    0.6453    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2980   -0.8444    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0348    1.8255   -0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -0.8548   -1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847    1.1684    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9001    1.1894    2.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6662   -0.2646    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0727   -1.7035   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7623   -1.6603   -1.7056 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