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
   -2.3243    1.7151    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5130    0.6862    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280   -0.7339   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -0.8314   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0759    0.4995    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.0222    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3365    0.2325    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2085   -1.1067   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9699   -1.6550   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3889    1.5546    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818    2.7077    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -0.9724   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -1.3715    0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    2.0784    0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3169    0.6449    0.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739   -1.7728   -0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8010   -2.6974   -0.5202 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