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
-2.6385 -1.2470 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6367 -0.3614 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4640 1.0735 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0077 0.8828 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1935 -0.4541 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9595 -1.2403 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2251 -0.7044 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 0.6466 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2934 1.4213 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6348 -0.8873 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4034 -2.2691 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8236 1.6930 -0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7297 1.4869 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7774 -2.2971 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0796 -1.3442 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3941 1.1168 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3877 2.4838 0.2375 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