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
-2.7259 0.7498 -0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 0.1295 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 -0.9877 0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 -0.7104 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2144 0.3203 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 1.0594 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1515 0.7664 -0.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 -0.2859 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 -1.0045 0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6397 1.5837 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6696 0.3467 -0.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -1.9936 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6765 -0.8742 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4972 1.8707 -1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8844 1.3833 -1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4908 -0.5137 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6519 -1.8396 1.4360 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