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
-2.6325 -1.1839 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6510 -0.3250 -0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4187 1.1412 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0240 0.8970 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -0.4602 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9077 -1.2722 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1852 -0.7791 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3818 0.5851 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3007 1.4171 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4365 -2.2295 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6294 -0.8366 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9369 1.7301 0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5551 1.6195 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7585 -2.3492 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0510 -1.4161 0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3917 0.9747 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4551 2.4874 0.1026 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