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
    4.2250    1.1653   -1.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    1.1168    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386    0.0962    0.4368 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4786    0.3258    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    1.4145   -0.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4904   -0.6407    0.5026 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940   -0.5360    0.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523    0.5430   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9334    0.5149   -0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7068   -0.5684    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0142   -1.6557    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513   -1.6686    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9090    1.9532   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9596    0.4303   -1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0070    1.8801    0.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069   -1.5518    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    1.4232   -0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4092    1.3956   -0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7831   -0.5400   -0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041   -2.5314    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1424   -2.5662    1.0932 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