Basic information
- CAS
100924-64-9- Standard SMILES
O=S(=O)(O)OCc1cc2ccccc2c2ccc3ccccc3c12- InChIKey
SRLZFYPFZJWWAE-UHFFFAOYSA-N- Molecular formula
- C19H14O4S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.0612801
Names & identifiers
- Preferred name
- 5-Chrysenemethanol, hydrogen sulfate
- IUPAC
- chrysen-5-ylmethyl hydrogen sulfate
Names & synonyms
5-Hydroxymethylchrysene sulfate5-CHRYSENEMETHANOL, HYDROGEN SULFATECCRIS 2538100924-64-9DTXSID40143581RefChem:302693DTXCID60660725-sulfoxymethylchrysene4G66ZQN5KXSCHEMBL7994830(Chrysen-5-yl)methyl hydrogen sulfate5-Chrysenemethanol, 5-(hydrogen sulfate)
Database identifiers
- CAS
100924-64-9- PubChem CID
- 58130
- DTXSID
DTXSID40143581- UNII
- 4G66ZQN5KX
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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