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
-2.5530 1.1070 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5885 0.3723 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4652 -0.6855 0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0297 -0.6341 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1569 0.3446 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0129 0.8361 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2501 0.3341 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3428 -0.6719 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2335 -1.1769 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3344 1.8591 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5933 0.9738 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8108 -0.3076 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 -1.6600 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9217 1.6151 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 0.7219 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3212 -1.0647 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 -1.9632 1.7013 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