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
    4.3338    0.4469   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9390   -0.1991    0.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6461   -0.4553    0.9178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892   -0.1157    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403    0.5111   -0.8009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -0.4785    0.7780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355   -0.2202    0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1559   -0.7732    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4401   -0.5625    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6443    0.2209   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5767    0.7684   -1.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2773    0.5440   -0.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549    0.8464   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3980    0.6170   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7581   -0.5555    1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2895   -1.0223    1.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -1.3835    1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3027   -0.9853    0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6314    0.4142   -1.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444    1.3803   -2.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809    1.0021   -1.3927 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