Chrysene-5,6-dihydrodiol
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Basic information
- CAS
28622-73-3- Standard SMILES
OC1c2ccccc2-c2ccc3ccccc3c2C1O- InChIKey
LMNSFGGRBHRGSN-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Overview
little tumorigenic activity; RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- Chrysene-5,6-dihydrodiol
- IUPAC
- 5,6-dihydrochrysene-5,6-diol
- English name
- chrysene-5,6-dihydrodiol
- Molecular formula
- C18H14O2
- Molecular weight
- 262.30256
Names & synonyms
5,6-Dihydro-5,6-chrysenediolChrysene-5,6-dihydrodiol28622-73-35,6-Dihydro-5,6-dihydroxychryseneRefChem:12596656JTU89XD85,6-dihydrochrysene-5,6-diolCHRYSENE-TRANS-5,6-DIHYDRODIOL5,6-Chrysenediol, 5,6-dihydro-, cis-82041-83-6trans-5,6-Dihydroxy-5,6-dihydrochryseneDTXSID80951288
Show more names
TRANS-CHRYSENE-5,6-DIHYDRODIOL
5,6-dihydroxy-5,6-dihydrochrysene
Database identifiers
- CAS
28622-73-3- PubChem CID
- 160165
- DTXSID
DTXSID80951288- Nikkaji
- J2.073.518J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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