Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol

HCID 347646

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Basic information

CAS: 28560-97-6
Standard SMILES: Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21
InChIKey: YFMCYRZSEQIRKF-UHFFFAOYSA-N
Molecular formula: C23H14N2O3
Average molar mass: 366.4 g/mol
Monoisotopic mass: 366.10044231

Names & identifiers

Preferred name: Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol
IUPAC: spiro[benzo[f]indazole-3,9'-xanthene]-4,9-diol

Names & synonyms

28560-97-6NSC406433NSC 406433Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diolspiro[benzo[f]indazole-3,9'-xanthene]-4,9-diolSpiro[3H-benz[f]indazole-3,9'-[9H]xanthene]-4,9-diolCHEMBL1979581DTXSID60951246NSC-406433NCI60_003855

Database identifiers

CAS: 28560-97-6
PubChem CID: 347646
DTXSID: DTXSID60951246
ChEMBL: CHEMBL1979581

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 28
Formal charge: 0
Complexity: 617

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