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
    4.5399   -0.5378    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399    0.5770   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    0.6669   -0.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088    0.3734   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782    0.0367    1.0479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2032    0.4659   -0.8831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    0.1897   -0.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118    0.5646   -1.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4813    0.3094   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146   -0.3535    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5262   -0.7483    1.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2632   -0.4639    0.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733   -1.4490   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4588   -0.5460    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    1.4693    0.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602    0.7707   -1.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762    1.0843   -2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670    0.5989   -1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6065   -0.5676    0.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082   -1.2666    2.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -0.8192    1.4435 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