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
    4.4080    1.0969    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    0.0828   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -0.6206    0.3891 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5012   -0.1763   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4712    0.8275   -0.7355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3162   -0.8284    0.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.4612    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682    0.5964   -0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7108    0.8844   -1.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7130    0.0921   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3397   -0.9656    0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0290   -1.2581    0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    1.4359    1.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2729    1.6210    0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178   -0.2385   -0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785   -1.6786    1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6231    1.2409   -1.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9697    1.7295   -1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7262    0.3466   -0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341   -1.6000    0.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -2.1267    1.2023 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