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
    4.3908   -1.4059    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8872   -0.2530   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.3406    0.3549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720    0.0537   -0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -0.7340   -1.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3551    0.6522    0.5003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846    0.4381    0.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -0.5054   -0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7805   -0.5828   -1.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7144    0.2341   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    1.1813    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9519    1.2695    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2480   -1.8371   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336   -1.9317    0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3464    0.2541   -1.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588    1.3034    1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7495   -1.1788   -1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0922   -1.3448   -1.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718    0.1837   -0.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9934    1.8428    0.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998    2.0200    1.4245 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