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
    4.9712    0.1949    0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7547    0.6026    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -0.2310    0.3566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678    0.1371    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    1.2356   -0.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -0.6637    0.3675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0841   -0.3728    0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0380   -1.4116    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -1.1799    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029    0.0743   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    1.0802   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117    0.8747   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1237   -0.7562    0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536    0.7777    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5802    1.5759   -0.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -1.6004    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -2.4057    0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0698   -1.9901    0.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8743    0.2598   -0.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1896    2.0867   -0.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510    1.7117   -0.3671 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