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
    4.9679   -0.3419    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7979    0.2389    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6591   -0.5519    0.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3850    0.0815    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073    1.3143    0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505   -0.7517    0.1502 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730   -0.2715    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1320   -1.1565   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4463   -0.8033    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034    0.4774    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8042    1.3602    0.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4516    0.9825    0.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -1.4046   -0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554    0.2581    0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    1.2990    0.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035   -1.8176    0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -2.1688   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1951   -1.5472   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8536    0.6990    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468    2.3750    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7262    1.7291    0.8354 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