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
    4.9717   -0.0574   -0.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363    0.1857   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -0.2263    0.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3734    0.0441   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2214    0.6438   -1.3724 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728   -0.3649    0.4752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0969   -0.1632    0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    0.3129   -1.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455    0.4722   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8252    0.1692   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3308   -0.3147    1.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -0.4825    1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7963    0.2594   -0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2207   -0.5830    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5553    0.7053   -1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -0.8783    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9002    0.5513   -1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2624    0.8536   -2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8912    0.3032   -0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928   -0.5680    1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117   -0.8623    2.1726 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