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
   -2.5530    1.1070   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5885    0.3723   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4652   -0.6855    0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -0.6341    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1569    0.3446   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129    0.8361   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    0.3341   -0.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3428   -0.6719    0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -1.1769    0.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3344    1.8591   -1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5933    0.9738   -0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8108   -0.3076    1.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469   -1.6600    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217    1.6151   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1328    0.7219   -1.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212   -1.0647    0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2637   -1.9632    1.7013 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