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
    4.8849   -0.6809   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931   -0.5536   -1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040   -0.5459   -0.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3278   -0.4123   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9563   -0.3044   -1.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180   -0.4023    0.6684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -0.2792    0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6909   -0.3465   -0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0938   -0.1971   -0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7946    0.0210    0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1032    0.0921    1.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -0.0563    1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6333   -0.6948   -1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2719   -0.7793    0.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959   -0.4616   -2.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -0.5004    1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1924   -0.5232   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5798   -0.2615   -1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8548    0.1264    0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6794    0.2655    2.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.0024    2.6382 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