Chrysene-1,2-diol
Basic information
- CAS
138142-87-7- Standard SMILES
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O- InChIKey
AQHBHRWGGYLFLS-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Overview
structure given in first source
Names & identifiers
- Preferred name
- Chrysene-1,2-diol
- IUPAC
- chrysene-1,2-diol
Names & synonyms
Chrysene-1,2-diolchrysene-1,2-diOHRefChem:918579chrysene-trans-1,2-diol138142-87-71,2-Dihydroxychrysene1,2-Chrysenediolchrysene diolCHEMBL7855SCHEMBL4543236SCHEMBL30621738DTXSID90276217
Show more names
BDBM50474724
Database identifiers
- CAS
138142-87-7- PubChem CID
- 119256
- DTXSID
DTXSID90276217- ChEMBL
CHEMBL7855- Nikkaji
- J640.061B
Properties
Computed structural properties
- XLogP
- 5
- 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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