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
-2.3280 0.4409 -1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4910 0.2453 -0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6188 0.1311 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1611 -0.0549 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 0.0547 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2065 -0.0511 -1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3339 -0.2601 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2092 -0.3682 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9797 -0.2699 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3677 0.5517 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9741 0.4880 -2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -0.7753 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9969 1.0440 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2205 0.0447 -2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2979 -0.3378 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0670 -0.5342 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8377 -0.3489 2.5298 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