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
-2.7083 -0.9609 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 -0.1662 -0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3617 1.2176 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0625 0.8792 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2188 -0.4095 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8566 -1.3011 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1750 -0.9224 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 0.3974 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 1.2828 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7149 -0.5805 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5475 -1.9995 -0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 1.6060 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6090 1.8756 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5665 -2.3295 -0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9455 -1.6423 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4648 0.7204 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5789 2.3328 0.5320 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