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6054-10-0 molecular structure
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6-methoxy-8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one

ChemBase ID: 304217
Molecular Formular: C15H14O4
Molecular Mass: 258.26926
Monoisotopic Mass: 258.08920893
SMILES and InChIs

SMILES:
c12c(oc(=O)cc1)c1c(c(c2)OC)OC(C=C1)(C)C
Canonical SMILES:
COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2
InChI:
InChI=1S/C15H14O4/c1-15(2)7-6-10-13-9(4-5-12(16)18-13)8-11(17-3)14(10)19-15/h4-8H,1-3H3
InChIKey:
UOFNVZWWIXXTMZ-UHFFFAOYSA-N

Cite this record

CBID:304217 http://www.chembase.cn/molecule-304217.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-8,8-dimethyl-2H,8H-pyrano[2,3-h]chromen-2-one
IUPAC Traditional name
6-methoxy-8,8-dimethylpyrano[2,3-h]chromen-2-one
Synonyms
Braylin
CAS Number
6054-10-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00333
Data Source Data ID Price
BioBioPha
BBP00333 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5263116  LogD (pH = 7.4) 2.5263116 
Log P 2.5263116  Molar Refractivity 72.4052 cm3
Polarizability 27.209787 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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