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
    4.3308   -1.3331   -0.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8261   -0.5803    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    0.3405   -0.0746 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -0.0459   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146   -1.2183    0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747    0.8675   -0.3652 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9144    0.5844   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8012    1.5365   -0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1557    1.3376   -0.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7438    0.2049   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8949   -0.7337    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -0.5391    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879   -2.0528   -0.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9939   -1.2385   -1.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -0.6333    1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    1.8454   -0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3407    2.4404   -1.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730    2.1134   -1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8133    0.0460   -0.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358   -1.6290    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9124   -1.3123    0.5976 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