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
    4.3785    0.4418   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8840   -0.7035   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5864   -1.0910   -0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4432   -0.3781   -0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926    0.7668    0.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504   -0.9371   -0.3057 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461   -0.3160   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2288   -1.0355   -0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4771   -0.5254    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5962    0.7595    0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4509    1.4927    0.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    0.9500    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7821    1.2567    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4494    0.6006   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022   -1.5010   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -1.9477   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2050   -2.0660   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -1.0884   -0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5566    1.2185    0.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5266    2.5005    1.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461    1.6026    0.6390 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