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
    4.4007    0.6696   -0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8584   -0.1759   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7023   -0.8422   -0.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -0.2741   -0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    0.8225    0.4378 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -0.9108   -0.5177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -0.3866   -0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0851   -1.3098   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3674   -0.8834   -0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6518    0.4284    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045    1.2998    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942    0.9185    0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040    1.2347   -0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    0.8374   -1.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3170   -0.3447    0.9087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3555   -1.8404   -1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -2.3526   -0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2009   -1.5663   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6806    0.6996    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7773    2.3320    0.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.6444    0.1705 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