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
    4.6105    0.3749   -0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361    0.2796   -1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -0.5255   -1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -0.0178   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3968    1.1569   -0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280   -0.7951   -0.4933 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0343   -0.3970   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514    0.8423    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126    1.1746    0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6048    0.2241    0.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3321   -1.0376    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774   -1.3198    0.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4635    1.0209   -0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -0.1762    0.7237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504    0.8305   -2.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3449   -1.8013   -0.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6209    1.6212    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8501    2.1601    1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6097    0.4553    1.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1380   -1.7562    0.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8821   -2.3139   -0.3642 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