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
    4.3757    1.2372   -0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    0.3677   -1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6771   -0.4270   -0.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3662   -0.0131   -0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434    1.0948   -0.7773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468   -0.8352    0.3483 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920   -0.5115    0.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6979   -1.5172    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0145   -1.3175    1.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042   -0.1059    1.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8403    0.9044    0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031    0.7041    0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0498    1.8169   -1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2973    1.3160    0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    0.2403   -2.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8080   -1.7904    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2687   -2.4979    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242   -2.1054    1.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6417    0.0465    1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2567    1.8818    0.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9199    1.5113    0.0649 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