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
    4.4345    0.6148   -0.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    0.6445    0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7517   -0.2208    1.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4367    0.1475    0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3027    1.2978    0.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3727   -0.7594    0.8947 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622   -0.4482    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    0.7906    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325    0.9794    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113   -0.0747    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135   -1.3311    0.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8816   -1.5063    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1247   -0.0506   -1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2676    1.2672   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567    1.3209    1.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958   -1.7366    1.2941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8213    1.6579    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1678    1.9833   -0.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7748    0.0854   -0.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9102   -2.1560    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -2.5054    0.7486 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