Bicyclo[2.1.1]hex-2-ene

HCID 136648

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Basic information

CAS: 822-41-3
Standard SMILES: C1=CC2CC1C2
InChIKey: YWDBHFZUBPOPRQ-UHFFFAOYSA-N
Molecular formula: C6H8
Average molar mass: 80.13 g/mol
Monoisotopic mass: 80.06260026

Names & identifiers

Preferred name: Bicyclo[2.1.1]hex-2-ene
IUPAC: bicyclo[2.1.1]hex-2-ene
English name: Bicyclo[2.1.1]hex-2-ene
Molecular formula: C6H8
Molecular weight: 80.12772

Names & synonyms

Bicyclo[2.1.1]hex-2-eneBicyclo(2.1.1)hex-2-ene822-41-3DTXSID20231617RefChem:119667DTXCID50154108InChI=1/C6H8/c1-2-6-3-5(1)4-6/h1-2,5-6H,3-4HSCHEMBL141438SCHEMBL894642SCHEMBL20722283

Database identifiers

CAS: 822-41-3
PubChem CID: 136648
DTXSID: DTXSID20231617
Nikkaji: J1.213.098H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 72.2

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Chemistry & industry

Suppliers1 total

北京珐默兹医药科技有限公司15811073878 · [email protected]

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