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
    4.8697    0.4322    1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7648   -0.2067    0.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5273    0.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -0.0248    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3544   -1.2298    0.0949 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    0.7472    0.3533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0824    0.2673   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    1.0685    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4827    0.6829   -0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7393   -0.5222   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6631   -1.3330   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3601   -0.9322   -0.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8341   -0.0943    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993    1.4697    1.3905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076   -1.2590    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    1.7911    0.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9990    2.0268    0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3065    1.3363    0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7439   -0.8463   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8181   -2.2960   -1.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -1.6051   -0.8387 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