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
    4.4536   -0.5933    0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5329   -1.4805    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264   -1.5878    0.1870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273   -0.7557    0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    0.0098    1.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456   -0.7817   -0.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253   -0.0117   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    0.8082    1.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4492    1.5287    1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4335    1.4375    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139    0.6033   -0.9133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0365   -0.0941   -0.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765    0.0425   -0.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538   -0.4673    1.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6751   -2.0898    1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -1.4549   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    0.9222    1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6033    2.1815    2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3525    1.9872    0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9950    0.5332   -1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8963   -0.7372   -1.8662 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