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
    5.0024    0.1645   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907    0.4557    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -0.1784   -0.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3891    0.1121   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925    0.9512    0.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2807   -0.5106   -0.6563 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -0.2827   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    0.5840    0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.7490    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8351    0.0347    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4192   -0.8456   -0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0881   -0.9943   -0.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086   -0.5527   -1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8540    0.6622    0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    1.1734    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4584   -1.2233   -1.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283    1.1763    1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1689    1.4579    1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8781    0.1887    0.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1485   -1.4156   -1.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7730   -1.7065   -1.7346 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