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
    4.4064    1.2702   -0.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9065    0.1324   -0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7773   -0.4104   -0.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.1178   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183    0.6519    0.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349   -0.6734   -0.7679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -0.4595   -0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3714    0.4747    0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160    0.6544    0.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081   -0.0967    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3589   -1.0358   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -1.2104   -0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    1.8431   -1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2930    1.7000   -0.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3869   -0.3851    0.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4902   -1.3391   -1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6779    1.1301    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889    1.4031    1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7520    0.0701    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1184   -1.6470   -1.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -1.9548   -1.6815 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