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
-2.6279 -0.7204 0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6062 -0.3347 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 0.0941 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0154 0.2527 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1811 -0.1465 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9368 -0.2050 1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2095 0.1227 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 0.5262 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3013 0.5866 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4932 -0.9944 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6313 -0.7749 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5717 -0.6980 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9256 1.0581 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7132 -0.5329 2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0379 0.0592 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3907 0.7950 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4659 0.9121 -2.3297 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