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
    4.9347   -0.5683   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6713   -0.8171   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204    0.0124    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3514   -0.2183   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891   -1.1971   -0.9303 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545    0.5803    0.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    0.3932    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -0.6839   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9753   -0.7658   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7805    0.2274   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224    1.3271    0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    1.4144    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2264    0.2591    0.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6867   -1.1990   -0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3704   -1.6541   -1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6916    1.3883    0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0374   -1.5057   -0.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4052   -1.6269   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8689    0.2124   -0.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724    2.1318    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4374    2.2897    1.1230 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