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
    4.5081   -0.1931   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445   -1.1655   -0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534   -1.2282   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -0.5908   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2822    0.0389   -1.3669 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -0.6634    0.5588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -0.0823    0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883    0.5371   -0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    1.1125   -0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5548    1.0748    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    0.4464    1.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236   -0.1227    1.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3668    0.5514    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3605   -0.1453   -1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7957   -1.8919   -1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854   -1.2351    1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736    0.6260   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9136    1.5927   -1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5246    1.5306    0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974    0.4265    2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6487   -0.6187    2.3805 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