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
-2.5764 0.5800 1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5865 0.2370 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 -0.1865 -1.0647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0181 -0.2531 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1573 0.1399 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0033 0.2670 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2553 -0.0022 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 -0.4026 -0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2453 -0.5362 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5684 0.5528 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3715 0.8625 2.1779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9388 -1.1540 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7954 0.6587 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8404 0.5843 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0981 0.1157 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3612 -0.6115 -0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3148 -0.8518 -2.4377 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