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
   -2.5099    1.0438    0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734    0.3178    0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5513   -0.7860   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0837   -0.6755   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350    0.3568    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686    0.9515    0.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726    0.4692    0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405   -0.5861   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -1.1533   -1.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768    1.8359    1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5456    0.8337    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9551   -0.5643   -1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9171   -1.7735   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9673    1.7748    1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    0.9347    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984   -0.9820   -0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -1.9976   -1.7021 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