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
2.6860 1.0121 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6453 0.1856 0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 -1.2241 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 -0.9159 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 0.4051 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8169 1.3087 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1348 0.9245 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4305 -0.4021 -0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4279 -1.3076 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5723 2.0519 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6818 0.6201 0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5866 -1.6233 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6908 -1.9329 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5711 2.3509 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9135 1.6678 -0.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4576 -0.7572 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 -2.3636 0.2442 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