Monomers

1,2-Dihydro-1-methylenebenzocyclobutene

Identifiers

IUPAC name
7-methylidenebicyclo[4.2.0]octa-1,3,5-triene
InchI
InChI=1S/C9H8/c1-7-6-8-4-2-3-5-9(7)8/h2-5H,1,6H2
InchI Key
SYNMYUUTAJUSDF-UHFFFAOYSA-N
SMILES
C=C1Cc2c1cccc2
Canonical SMILES
C=C1CC2=CC=CC=C12
Isomeric SMILES
C=C1CC2=CC=CC=C12
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8
Heavy Atom Count
9
Molecular Weight
116.163
Exact Molecular Weight
116.0626
Valence Electrons
44
Radical Electrons
0
tPSA
0.0
MolLogP
2.2559
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.7429    0.8736   -0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655    0.1369    0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098   -1.2654    0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -0.8667    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2383    0.4213   -0.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7806    1.3339   -0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    0.9860   -0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254   -0.3086   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4588   -1.2465    0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7040    0.4182    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6603    1.9069   -0.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -1.5672    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6040   -2.0281   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    2.3532   -0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496    1.7463   -0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4736   -0.6202   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -2.2737    0.5032 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
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  5  2  1  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers