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
-2.6236 -1.2022 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6160 -0.3793 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4696 1.0318 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 0.8635 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1697 -0.4410 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -1.2007 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2622 -0.6786 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4208 0.6450 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2789 1.3890 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4404 -2.2298 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6509 -0.8853 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 1.7608 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 1.3078 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 -2.2355 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1349 -1.2963 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3868 1.1144 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3381 2.4364 -0.6608 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