Basic information
- CAS
51789-38-9- Standard SMILES
O=C1C(=O)c2ccc(S(=O)(=O)O)cc2-c2ccccc21- InChIKey
AVTLNKKGCFQZRP-UHFFFAOYSA-N- Molecular formula
- C14H8O5S
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.00924453
Names & identifiers
- Preferred name
- 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid
- IUPAC
- 9,10-dioxophenanthrene-3-sulfonic acid
- English name
- 9,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid
- Molecular formula
- C14H8O5S
- Molecular weight
- 288.28
Names & synonyms
9,10-dioxophenanthrene-3-sulfonic Acid51789-38-99,10-Dihydro-9,10-dioxo-3-phenanthrenesulfonic acid9,10-dioxo-9,10-dihydrophenanthrene-3-sulfonic acidSCHEMBL9550493DTXSID70332502DB-2969213-Phenanthrenesulfonic acid, 9,10-dihydro-9,10-dioxo-
Database identifiers
- CAS
51789-38-9- PubChem CID
- 458341
- DTXSID
DTXSID70332502- Nikkaji
- J89.645D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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