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
    4.9995   -0.1313   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    0.3168   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -0.4021    0.2198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    0.0679    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2591    1.1399   -0.5906 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -0.6650    0.4982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1018   -0.2781    0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4932    0.9824   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8598    1.2608   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7905    0.2782    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031   -0.9908    0.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0702   -1.2451    0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8325    0.4329   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1576   -1.0528    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    1.2498   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -1.5765    1.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933    1.7780   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1612    2.2578   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8294    0.5466   -0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1794   -1.7326    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -2.2366    0.9160 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