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
2.6246 -0.0096 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5913 0.2146 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3225 0.9189 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0699 0.4544 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2133 -0.1886 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8343 -0.8847 1.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1011 -0.9015 0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4055 -0.2515 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3775 0.4185 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 0.4111 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5197 -0.5982 2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4251 2.0234 -0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8244 0.4641 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5623 -1.3765 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 -1.4356 1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3769 -0.2285 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5115 0.9697 -2.2184 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