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
    4.8841   -0.5893    0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.2877   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730   -0.4155    0.6395 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3731   -0.1079   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4728    0.2798   -1.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404   -0.2374    0.6709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    0.0542    0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    0.6767   -1.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6419    0.8976   -1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7024    0.4801   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4923   -0.1513    0.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2162   -0.3644    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430   -0.9251    1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355   -0.5007    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762    0.0584   -1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108   -0.5816    1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058    1.0059   -1.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368    1.3902   -2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6997    0.6553   -1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330   -0.4764    1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933   -0.8609    1.8369 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