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15085-71-9 molecular structure
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7-methoxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2H-chromen-2-one

ChemBase ID: 304127
Molecular Formular: C15H12O6
Molecular Mass: 288.25218
Monoisotopic Mass: 288.0633881
SMILES and InChIs

SMILES:
c1(c(cc2c(c1)ccc(=O)o2)OC)[C@@H]1[C@@H]2[C@](C(=O)O1)(O2)C
Canonical SMILES:
COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@]2([C@@H]1O2)C
InChI:
InChI=1S/C15H12O6/c1-15-13(21-15)12(20-14(15)17)8-5-7-3-4-11(16)19-9(7)6-10(8)18-2/h3-6,12-13H,1-2H3/t12-,13-,15-/m1/s1
InChIKey:
VIORQNDMAWQQCV-UMVBOHGHSA-N

Cite this record

CBID:304127 http://www.chembase.cn/molecule-304127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-2H-chromen-2-one
IUPAC Traditional name
7-methoxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo[3.1.0]hexan-2-yl]chromen-2-one
Synonyms
Micromelumin
Micromelin
CAS Number
15085-71-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00208
Data Source Data ID Price
BioBioPha
BBP00208 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5465488  LogD (pH = 7.4) 1.5465488 
Log P 1.5465488  Molar Refractivity 70.2936 cm3
Polarizability 27.51756 Å3 Polar Surface Area 74.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Purity
97.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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