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
    4.9511    0.2768   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7286    0.7551   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -0.1367   -0.2813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387    0.2869   -0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1182    1.4851   -0.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3409   -0.6978   -0.1913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0306   -0.3872   -0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6080    0.8314   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027    1.0064   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8195   -0.0602   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729   -1.2979    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9211   -1.4347    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1342   -0.7844   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8003    0.9384   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974    1.8235   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.7420   -0.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0092    1.6830   -0.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630    2.0027   -0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751    0.0705   -0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8813   -2.1700    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5298   -2.4491    0.3004 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