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
-2.5876 1.0332 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5994 0.3338 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4710 -0.7759 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0151 -0.6656 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1635 0.3661 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0050 0.9397 -0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2651 0.4852 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3732 -0.5686 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2660 -1.1547 0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4594 1.8441 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6020 0.7799 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8583 -1.7621 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7636 -0.5888 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8164 1.7607 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1272 0.9432 -0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3571 -0.9785 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3098 -1.9916 1.5975 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