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
-2.8092 0.6175 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5025 0.6375 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5330 1.5059 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5181 0.5744 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 -0.2149 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0656 -1.3742 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3944 -1.7181 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2845 -0.8760 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8871 0.2627 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3281 -0.1661 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 1.4267 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4626 2.4779 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6213 1.6237 -1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7225 -1.9606 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6697 -2.6218 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3402 -1.1233 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6067 0.9289 -0.8842 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