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
    5.0011   -0.1438    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7885   -0.6568    0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    0.2307    0.2118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001   -0.1923    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -1.4014    0.1390 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    0.6963    0.0476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0558    0.3950   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6059   -0.8626   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -1.1047   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8429   -0.0768   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3440    1.2104   -0.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9963    1.4265   -0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1765    0.9230    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8682   -0.7843    0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878   -1.7269    0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5950    1.7201    0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9840   -1.7193    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3489   -2.1260   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9198   -0.2648   -0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    2.0193   -0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.4383   -0.1070 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