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
    4.4054    0.2421    0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028    1.1381    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6898    0.6788   -0.5327 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3802    0.5032   -0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    0.7838    1.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    0.0329   -0.9369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622   -0.1695   -0.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4817    0.2588    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265    0.0071    0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436   -0.6773    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -1.1151   -1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7940   -0.8606   -1.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2136   -0.8140    0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2038    0.5427    1.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404    2.1735    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6760   -0.1734   -1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477    0.8023    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055    0.3528    1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6717   -0.8496    0.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7302   -1.6503   -1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4016   -1.2062   -2.3889 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