Basic information
- CAS
452-61-9- Standard SMILES
C1C2C3C4C1C1C2C3C41- InChIKey
PAJGEKALYKVXNG-UHFFFAOYSA-N- Molecular formula
- C9H10
- Average molar mass
- 118.18 g/mol
- Monoisotopic mass
- 118.07825032
Names & identifiers
- Preferred name
- Pentacyclo(4.3.0.02,5.03,8.04,7)nonane
- IUPAC
- pentacyclo[4.3.0.02,5.03,8.04,7]nonane
- English name
- Pentacyclo[4.3.0.02,5.03,8.04,7]nonane
- Molecular weight
- 0
Names & synonyms
Pentacyclo[4.3.0.02,5.03,8.04,7]nonane452-61-9Pentacyclo(4.3.0.02,5.03,8.04,7)nonaneRefChem:367956homocubaneSCHEMBL9246957DTXSID90963352Pentacyclo[4.3.0.0~2,5~.0~3,8~.0~4,7~]nonanePentacyclo[4.3.0.02,5.03,9.04,7]nonane
Database identifiers
- CAS
452-61-9- PubChem CID
- 136294
- DTXSID
DTXSID90963352- Nikkaji
- J55.598C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers1 total
山东众泰合化工有限公司13223931914 13864082898 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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