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
-2.6832 0.9541 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 0.1392 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3646 -1.2920 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0587 -0.9087 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2079 0.4309 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8401 1.3632 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1611 0.9764 -0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4314 -0.3728 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4102 -1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6502 0.4762 0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6151 2.0196 0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6909 -1.8956 -0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6752 -1.7367 1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5943 2.4161 -0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9126 1.7497 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 -0.6966 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6361 -2.3357 0.0430 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