Fluoran
Basic information
- CAS
596-24-7- Standard SMILES
O=C1OC2(c3ccccc3Oc3ccccc32)c2ccccc21- InChIKey
FWQHNLCNFPYBCA-UHFFFAOYSA-N- Molecular formula
- C20H12O3
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.07864424
Overview
Fluoran is an oxaspiro compound, a member of 2-benzofurans and a member of xanthenes.
Names & identifiers
- Preferred name
- Fluoran
- IUPAC
- spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- spiro(isobenzofuran-1(3H),9'-xanthen)-3-one
- Molecular formula
- C20H12O3
- Molecular weight
- 300.31
Names & synonyms
Fluoran596-24-7C8A6LHH76WSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-oneNSC-629162CHEBI:37915DTXSID50208276RefChem:140868DTXCID70130767209-880-2Spiro(isobenzofuran-1(3H),9'-xanthen)-3-one
Show more names
spiro[isobenzofuran-3,9'-xanthene]-1-one
NSC629162Benzoic acid, 2-(9-hydroxy-9H-xanthen-9-yl)-, .gamma.-lactoneUNII-C8A6LHH76Wspiro[2-benzofuran-3,9'-xanthene]-1-one3H-spiro[2-benzofuran-1,9'-xanthen]-3-oneEINECS 209-880-2SCHEMBL77954SCHEMBL432799
Database identifiers
- CAS
596-24-7- PubChem CID
- 68994
- DTXSID
DTXSID50208276- ChEMBL
CHEMBL2005897- ChEBI
CHEBI:37915- UNII
- C8A6LHH76W
- EC Number
- 209-880-2
- Nikkaji
- J6.781D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 497.9 · 497.9±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- FDA UNII
- 8 A6LHH76W · C8A6LHH76W
Chemistry & industry
Additional notes
DefinitionChEBI: Fluoran is an oxaspiro compound, a member of 2-benzofurans and a member of xanthenes.
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