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
    4.4475   -0.4318   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.8584    0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7596   -0.0732    0.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496   -0.2831    0.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -1.1545   -0.4571 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3744    0.4741    0.8918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600    0.3482    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517   -0.5921   -0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8006   -0.6183   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099    0.2981   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247    1.2495    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    1.2801    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2589   -1.0484   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    0.5231   -1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -1.8247    0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6257    1.1908    1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -1.3457   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1673   -1.3768   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7375    0.2345   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9386    1.9733    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380    2.0354    1.6080 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