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
    4.4999   -0.0449    0.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7842    0.7055   -0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463    0.2058   -0.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3729    0.3064   -0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    0.8664    0.9520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -0.2447   -0.8806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0189   -0.2311   -0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -0.0817    0.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6518   -0.0446    1.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -0.1612    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404   -0.3148   -0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0412   -0.3518   -1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906   -1.0554    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3819    0.3579    1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    1.7321   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4772   -0.7075   -1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386   -0.0055    1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8283    0.0752    2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6702   -0.1341    0.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1737   -0.4027   -1.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7736   -0.4693   -2.4190 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