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
-2.6550 -0.7614 0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6109 -0.1277 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3613 1.1773 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0648 0.8152 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 -0.3988 0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 -1.2796 0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 -0.9444 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4160 0.2844 -0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3350 1.1317 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5360 -1.7650 1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 -0.3278 0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5434 2.0563 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8116 1.3323 -1.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6435 -2.2340 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9375 -1.6731 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3934 0.5927 -0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 2.1220 -1.2077 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