Basic information
- CAS
16478-22-1- Standard SMILES
C1=CC2CCCc3ccc4cccc1c4c32- InChIKey
HQDYNFWTFJFEPR-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- 1,2,3,3a-Tetrahydropyrene
- IUPAC
- 1,2,3,3a-tetrahydropyrene
Names & synonyms
1,2,3,3a-tetrahydropyreneDTXSID2098463666161-17-9RefChem:71232DTXCID60141184816478-22-1tetrahydropyreneSCHEMBL50690SCHEMBL524779SCHEMBL1856199SCHEMBL8674433SCHEMBL29352264
Show more names
SCHEMBL30365719
Database identifiers
- CAS
16478-22-1、66161-17-9- PubChem CID
- 181782
- DTXSID
DTXSID20984636
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…