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
    4.4913    0.4333    0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.3198   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161   -0.9831   -0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.2831   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978    0.8649   -0.8699 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602   -0.8691   -0.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0265   -0.3012   -0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    0.9665   -0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    1.3797   -0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944    0.5409   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4003   -0.7486    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035   -1.1555    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3950    0.9506   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0899    0.5232    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408   -0.4237   -1.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3459   -1.8544    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5235    1.6542   -0.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    2.4020   -0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7390    0.8669   -0.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1946   -1.4692    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9087   -2.1744    0.4148 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