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
    4.9754    0.2202    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600   -0.1967    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905    0.3939   -0.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3838   -0.0280    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2729   -0.9314    0.9664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2851    0.5621   -0.5404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0664    0.1996   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694    0.9892   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4080    0.7371   -0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276   -0.3348   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8871   -1.1318    0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5250   -0.8591    0.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -0.1964    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1554    1.0096   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600   -0.9772    1.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5331    1.3164   -1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    1.8489   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1459    1.3766   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8970   -0.5082    0.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2056   -1.9713    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -1.5185    0.8926 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