6-Hydroxy-5,7,8-trimethyl-chroman-2-one
Basic information
- CAS
40740-31-6- Standard SMILES
Cc1c(C)c2c(c(C)c1O)CCC(=O)O2- InChIKey
IWIXYZQOIASOQM-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 6-Hydroxy-5,7,8-trimethyl-chroman-2-one
- IUPAC
- 6-hydroxy-5,7,8-trimethyl-3,4-dihydrochromen-2-one
Names & synonyms
40740-31-66-Hydroxy-5,7,8-trimethylchroman-2-one6-hydroxy-5,7,8-trimethyl-chroman-2-one6-Hydroxy-5,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-oneNSC1685046-Hydroxy-5,7,8-trimethyl-3,4-dihydrocoumarin6-hydroxy-5,7,8-trimethyl-3,4-dihydrochromen-2-oneSCHEMBL4459202DTXSID80304957MFCD24713559NSC-168504SY318964
Show more names
6-Hydroxy-5,7,8-trimethyl-2-chromanone #Coumarin-6-ol, 3,4-dihydro-5,7,8-trimethyl-Q63408964
Database identifiers
- CAS
40740-31-6- PubChem CID
- 297375
- DTXSID
DTXSID80304957- Nikkaji
- J354.857K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
3 records
Compound notes
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