C1=CC2=CC=C2C=C1
CAS: 4026-23-7
Name: bicyclo[4.2.0]octa-1(8),2,4,6-tetraene
SMILES: C1=CC2=CC=C2C=C1

Molecular Processing

Molecular formula
C8H6
Molecular weight
102.14
Exact mass
102.047
XLogP
0.26
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0
Molar refractivity
34.62

Supplementary Information

InChIKey: WHEATZOONURNGF-UHFFFAOYSA-N
Synonyme
Bicyclo[4.2.0]octa-1,3,5,7-tetraeneBenzocyclobutadiene4026-23-7T7CEM83V4MBicyclo(4.2.0)octa-1,3,5,7-tetraeneDTXSID60193245RefChem:118270DTXCID70115736UNII-T7CEM83V4MSCHEMBL33554SCHEMBL110858SCHEMBL1986028SCHEMBL5446898SCHEMBL5888763SCHEMBL6004532SCHEMBL29398195AKOS025243310Q2335652
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