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
-2.6210 -1.2009 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 -0.3773 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4286 1.0057 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 0.8418 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1779 -0.4376 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9708 -1.1727 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 -0.6506 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 0.6419 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 1.3655 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4605 -2.2021 0.5882 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6248 -0.8499 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7568 1.1896 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8337 1.7823 0.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7808 -2.1936 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0683 -1.2715 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3679 1.1220 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3765 2.4073 -0.7389 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