Basic information
- CAS
4026-23-7- Standard SMILES
C1=c2ccccc2=C1- InChIKey
WHEATZOONURNGF-UHFFFAOYSA-N- Molecular formula
- C8H6
- Average molar mass
- 102.13 g/mol
- Monoisotopic mass
- 102.04695019
Overview
structure in first source
Names & identifiers
- Preferred name
- Bicyclo(4.2.0)octa-1,3,5,7-tetraene
- IUPAC
- bicyclo[4.2.0]octa-1(8),2,4,6-tetraene
- English name
- benzocyclobutene
- Molecular formula
- C8H6
- Molecular weight
- 102.13
Names & synonyms
Bicyclo[4.2.0]octa-1,3,5,7-tetraeneBenzocyclobutadiene4026-23-7T7CEM83V4MBicyclo(4.2.0)octa-1,3,5,7-tetraeneDTXSID60193245RefChem:118270DTXCID70115736UNII-T7CEM83V4MSCHEMBL33554SCHEMBL110858SCHEMBL1986028
Show more names
SCHEMBL5446898SCHEMBL5888763SCHEMBL6004532SCHEMBL29398195AKOS025243310Q2335652
Database identifiers
- CAS
4026-23-7- PubChem CID
- 77987
- DTXSID
DTXSID60193245- UNII
- T7CEM83V4M
- Nikkaji
- J313.096G、J761.507H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 49 · 49-54 °C(Press: 10 Torr)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- FDA UNII
- 7 CEM83V4M · T7CEM83V4M
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…