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
    4.5915    0.4639   -0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8266   -0.2894    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6360    0.1670    1.1058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0053    0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004   -0.5456   -0.7022 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960    0.4535    0.9094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0689    0.3569    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2789   -0.2058   -0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653   -0.2749   -1.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6425    0.2197   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4503    0.8005    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1855    0.8640    0.9834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5141    0.1128   -0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    1.4687   -0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643   -1.3165    0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873    0.9150    1.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132   -0.6254   -1.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7261   -0.7320   -2.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6189    0.1489   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157    1.1957    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.3182    1.9443 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