Hymoquinolone
Basic information
- CAS
98267-21-1- Standard SMILES
COc1c(O)ccc2c(=O)cc[nH]c12- InChIKey
YPZORVWQFGHPCU-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Overview
a new compound isolated from Chinese Soft Sinularia polydactyla & S. lettoclados
Names & identifiers
- Preferred name
- Hymoquinolone
- IUPAC
- 7-hydroxy-8-methoxy-1H-quinolin-4-one
- English name
- hymoquinolone
- Molecular formula
- C10H9NO3
- Molecular weight
- 191.18
Names & synonyms
Hymoquinolone98267-21-17-Hydroxy-8-methoxy-4(1H)-quinoloneDTXSID002435367-hydroxy-8-methoxy-1H-quinolin-4-oneRefChem:147339DTXCID301660274,7-dihydroxy-8-methoxyquinoline7-Hydroxy-8-methoxyquinolin-4(1H)-one4(1H)-Quinolinone, 7-hydroxy-8-methoxy-
Database identifiers
- CAS
98267-21-1- PubChem CID
- 5487041
- DTXSID
DTXSID00243536- Nikkaji
- J1.923.252B、J2.372.150C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 389.7 · 389.7±42.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 7.7 · 7.70±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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