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
2.7199 0.6117 0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6069 0.0030 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2914 -1.3642 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1086 -0.8565 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2139 0.4104 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 1.4015 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0983 1.1503 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4209 -0.1213 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4552 -1.0950 -0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6849 0.1190 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7461 1.6588 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4641 -2.1759 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6542 -1.6021 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4600 2.3693 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8556 1.9144 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4638 -0.3264 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 -2.0969 -0.8810 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