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
    4.2975    1.3431   -0.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8581    0.5429    0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136   -0.3632   -0.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4927    0.0455    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3058    1.2069    0.5041 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180   -0.8385   -0.1065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9558   -0.5658    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8506   -1.6340   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1964   -1.4767    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7051   -0.2300    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8323    0.8392    0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521    0.6802    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    2.0133   -0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8711    1.3292   -1.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729    0.5381    1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7033   -1.8072   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527   -2.6342   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8934   -2.2956    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584   -0.0670    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    1.8320    0.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8423    1.5417    0.4911 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