Basic information
- CAS
107055-08-3- Standard SMILES
COc1cc2oc(=O)cc(C)c2c(OC)c1O- InChIKey
WXTIUSAQMSOLIH-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 6-Hydroxy-5,7-dimethoxy-4-methyl-2H-chromen-2-one
- IUPAC
- 6-hydroxy-5,7-dimethoxy-4-methylchromen-2-one
Names & synonyms
NSC688799107055-08-36-Hydroxy-5,7-dimethoxy-4-methyl-2H-chromen-2-oneCHEMBL20047556-hydroxy-5,7-dimethoxy-4-methyl-2H-1-benzopyran-2-oneDTXSID90327814NSC-688799NCI60_0319975,7-Dimethoxy-6-hydroxy-4-methylcoumarin6-hydroxy-5,7-dimethoxy-4-methyl-chromen-2-one
Database identifiers
- CAS
107055-08-3- PubChem CID
- 390801
- DTXSID
DTXSID90327814- ChEMBL
CHEMBL2004755- Nikkaji
- J934.080G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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