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
    4.4488   -0.6877    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8921    0.0533    0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538   -0.3125   -0.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    0.0238   -0.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4451    0.6555    0.9906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3065   -0.3424   -0.7845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115   -0.0530   -0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523    0.6107    0.7569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6929    0.8420    1.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7047    0.4377    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3672   -0.2392   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -0.4691   -1.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3313   -0.3369    1.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0768   -1.6612    1.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3264    1.0088   -0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4761   -0.8761   -1.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6506    0.9765    1.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9486    1.3647    1.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7605    0.5890    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1487   -0.5776   -1.6198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326   -1.0067   -2.1635 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