Basic information
- CAS
24292-54-4- Standard SMILES
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cccc(O)c21- InChIKey
SYUIRXCFFYBPPV-AWEZNQCLSA-N- Molecular formula
- C15H12O5
- Average molar mass
- 272.25 g/mol
- Monoisotopic mass
- 272.06847348
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
Names & synonyms
24292-54-44H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-SCHEMBL26312661
Database identifiers
- CAS
24292-54-4- PubChem CID
- 90443
- Nikkaji
- J1.611.142B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
LogP2.81
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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