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
    4.1903   -0.2758   -1.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436   -0.4570   -0.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8289    0.3219   -0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4785   -0.0883   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2926   -1.1790   -0.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4594    0.7207    0.3230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9136    0.3771    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    1.3413    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1977    1.0935    0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700   -0.1359    0.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004   -1.1047   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394   -0.8270   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    0.4701   -2.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9871   -0.8937   -2.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453   -1.2010   -0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7723    1.6414    0.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394    2.2928    1.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563    1.8945    1.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7494   -0.2830    0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1776   -2.0825   -0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7931   -1.6254   -0.3953 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