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
   -2.7512    0.9195    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6479    0.1902    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3574   -1.2614    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751   -0.8839    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187    0.4785    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    1.3531    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    0.9412    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433   -0.3952    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   -1.2942    0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7184    0.4359    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213    1.9979   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5970   -1.7675   -0.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7506   -1.7748    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    2.4292    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    1.6628    0.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4831   -0.6913    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658   -2.3400    0.4417 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