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
   -2.6279   -0.7204    0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062   -0.3347    0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4215    0.0941   -1.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0154    0.2527   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811   -0.1465    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   -0.2050    1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2095    0.1227    0.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.5262   -0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3013    0.5866   -1.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932   -0.9944    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6313   -0.7749    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5717   -0.6980   -1.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9256    1.0581   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7132   -0.5329    2.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    0.0592    1.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907    0.7950   -0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4659    0.9121   -2.3297 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