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
    4.3937   -1.0960    0.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9102   -0.1564   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7884    0.5545    0.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009    0.0987   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3955   -0.9407   -0.7088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669    0.8192    0.3587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9853    0.4899    0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965    1.3235    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342    1.0780    0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044   -0.0370   -0.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -0.9051   -0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214   -0.5999   -0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556   -1.6793    0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343   -1.3097    1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4001    0.0236   -1.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5488    1.7124    0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6948    2.2004    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0343    1.7726    0.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7600   -0.2609   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0617   -1.7871   -1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -1.3007   -0.9846 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