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
    4.5936    0.0416   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -0.1079    1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045   -0.8350    0.9482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941   -0.1846    0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869    1.0342    0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889   -0.8751    0.5156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -0.3211    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1349   -1.2072   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798   -0.7613   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6014    0.5998   -0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5732    1.4859   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329    0.9999    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826   -0.4029   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4969    0.6180    0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203    0.3480    1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2163   -1.9130    0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892   -2.2756    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2202   -1.4202   -0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5899    0.9203   -0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    2.5299   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401    1.7264    0.1632 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