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
    4.9661   -0.1929    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -0.1626    0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285   -0.1567   -0.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3637   -0.1247    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967   -0.1023    1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558   -0.1182   -0.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179   -0.0828   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6047    0.1173    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9797    0.1243    0.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8095   -0.0797   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2818   -0.2882   -1.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.2875   -1.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765   -0.1992    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2014   -0.2122   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4305   -0.1419    1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6751   -0.1385   -1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073    0.2874    1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3767    0.2902    1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9015   -0.0862   -0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9339   -0.4539   -2.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4803   -0.4503   -2.4928 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