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
    4.4880    0.5140    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    0.7714   -0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726   -0.0585   -0.8306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    0.2326   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3333    1.2563    0.3799 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2872   -0.6069   -0.5549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129   -0.4040   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -1.4286   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -1.3463    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6310   -0.1912    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564    0.8351    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296    0.7198    0.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.2951    1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    1.1520    0.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9745    1.5871   -1.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155   -1.4448   -1.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6124   -2.3304   -0.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9221   -2.1614   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6664   -0.0966    1.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480    1.7389    1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7779    1.5565    0.7699 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