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
-2.5252 0.4462 1.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 0.0789 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5033 -0.6466 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0526 -0.4523 -0.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1315 0.2196 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 0.7073 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2818 0.5156 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3226 -0.1763 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1898 -0.6661 -1.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5398 0.1835 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2482 0.9963 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 -1.7057 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9851 -0.0597 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9183 1.2347 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1738 0.9021 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2677 -0.3594 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1845 -1.2181 -2.3296 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