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
    4.5075   -0.2623    0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623    0.8203    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6739    0.9018   -0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    0.4404    0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3449   -0.0256    1.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3046    0.5440   -0.7932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.0997   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -0.6920    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424   -1.0679    0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6688   -0.6331    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426    0.1704   -1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0501    0.5324   -1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3105   -1.0995   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3634   -0.3368    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9856    1.6332    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459    0.9633   -1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498   -1.0649    1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8336   -1.7047    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7062   -0.9078    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1621    0.5181   -1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121    1.1709   -2.1178 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