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
    2.5421   -1.3103    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5790   -0.4296    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5350    0.9603   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0681    0.8340   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433   -0.4525    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -1.1511    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994   -0.5682    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647    0.7474   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.4406   -0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3104   -2.3219    0.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   -1.0613    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8489    1.7190    0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    1.1519   -1.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -2.1789    0.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1976   -1.1148    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3233    1.2594   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    2.4761   -0.7600 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