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
    4.5069    0.5017    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669    0.6651   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036   -0.1895   -1.1895 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4584    0.1886   -0.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    1.2329    0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3313   -0.6236   -0.8540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -0.3864   -0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -1.3251   -0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719   -1.2020   -0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6738   -0.1203    0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7276    0.8088    0.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009    0.6588    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    1.1551    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2913   -0.3004    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    1.4616   -1.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5036   -1.5167   -1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123   -2.1920   -1.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0413   -1.9243   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7022   -0.0034    0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9823    1.6875    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7456    1.4238    0.6533 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