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
    4.9774   -0.3772   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7858    0.0822    0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670   -0.5271   -0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   -0.0309    0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577    0.9505    0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2159   -0.6298   -0.4634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0896   -0.1991   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1418   -0.9167   -0.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605   -0.5850   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7943    0.4819    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876    1.2086    0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4579    0.8501    0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444   -1.2399   -0.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8798    0.0974    0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886    0.9333    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -1.4925   -1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325   -1.7645   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586   -1.1481   -1.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8128    0.7941    0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238    2.0645    1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309    1.4483    1.0557 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