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
    2.7130   -0.3631    0.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088    0.1232    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    1.3880   -0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    0.8122   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.3513    0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -1.3909    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745   -1.2850   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3933   -0.1123   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4797    0.9119   -0.7928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    0.2572    0.9891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7106   -1.3599    1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254    2.2915    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6243    1.5724   -1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388   -2.3173    0.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837   -2.0962    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3953    0.0627   -1.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7806    1.8570   -1.2482 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