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
2.6428 1.1259 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6311 0.2810 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4305 -1.1350 0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -0.8858 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1922 0.4353 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 1.2817 -0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2137 0.8118 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -0.5338 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3397 -1.3570 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 2.1685 -0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6349 0.7390 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6685 -1.5219 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8329 -1.8114 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6906 2.3387 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0575 1.4817 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4066 -0.9838 0.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -2.4349 0.3485 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