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
-2.7219 0.5960 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6298 0.1474 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3558 -0.5800 -1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0703 -0.4545 -0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 0.2215 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 0.6514 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.3963 0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 -0.3001 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4068 -0.7219 -1.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 1.1379 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6687 0.3809 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6622 -1.6480 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6596 0.0070 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5704 1.1848 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9338 0.7579 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4805 -0.4977 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5853 -1.2788 -2.0469 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