3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(methoxyphenyl)-
Basic information
- CAS
37569-53-2- Standard SMILES
COc1ccccc1-c1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12- InChIKey
JYHBFOFIRVIQIX-UHFFFAOYSA-N- Molecular formula
- C20H14O6
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.07903816
Names & identifiers
- Preferred name
- 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(methoxyphenyl)-
- IUPAC
- 2,6,7-trihydroxy-9-(2-methoxyphenyl)xanthen-3-one
Names & synonyms
37569-53-23H-Xanthen-3-one, 2,6,7-trihydroxy-9-(methoxyphenyl)-2,6,7-trihydroxy-9-(2-methoxyphenyl)-3H-xanthen-3-oneDTXSID70387890SR-01000256412SR-01000256412-1
Database identifiers
- CAS
37569-53-2- PubChem CID
- 2932201
- DTXSID
DTXSID70387890- Nikkaji
- J3.067.357C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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