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
    4.3027    0.7303    0.3687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618   -0.1297   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029   -0.5381   -0.8790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4992   -0.1502   -0.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325    0.6788    0.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2642   -0.6580   -0.7766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -0.3388   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2997    0.4406    0.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109    0.7246    1.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899    0.2294    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4302   -0.5573   -0.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1507   -0.8345   -0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675    0.9443    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    1.2539    1.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550   -0.6228   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3439   -1.3701   -1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735    0.8573    1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7562    1.3455    2.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7193    0.4224    0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2696   -0.9675   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -1.4601   -1.8444 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