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
    4.4294    0.7416   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850   -0.2425   -1.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772   -0.7152   -0.4408 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -0.1876   -0.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911    0.7384   -1.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -0.6708    0.3881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620   -0.1893    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8162   -0.7190    1.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1108   -0.3405    1.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176    0.5986    0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8141    1.1465   -0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.7550   -0.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    1.1371   -1.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798    1.1752    0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8692   -0.6502   -2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6443   -1.4755    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -1.4838    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271   -0.7878    2.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6467    0.8960    0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177    1.8982   -0.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    1.2283   -1.1963 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