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
    4.2620    0.5927   -0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9405   -0.5183    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6798   -0.9342    0.6160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791   -0.3058    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057    0.7988   -0.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2339   -0.8670    0.6352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586   -0.3502    0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    0.9322   -0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422    1.4246   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955    0.5757   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4002   -0.7203    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1556   -1.1865    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3385    0.8181   -0.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6248    1.3660   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443   -1.1799    0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2867   -1.8184    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4765    1.6470   -0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7009    2.4320   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6347    0.8751   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652   -1.3648    0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -2.2169    0.9709 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