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164256454 molecular structure
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8-(7-ethoxy-1-benzofuran-2-yl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one

ChemBase ID: 200544
Molecular Formular: C20H14O6
Molecular Mass: 350.32156
Monoisotopic Mass: 350.07903817
SMILES and InChIs

SMILES:
c1(c2c3c(oc(=O)c2)cc2c(c3)OCO2)oc2c(c1)cccc2OCC
Canonical SMILES:
CCOc1cccc2c1oc(c2)c1cc(=O)oc2c1cc1OCOc1c2
InChI:
InChI=1S/C20H14O6/c1-2-22-14-5-3-4-11-6-15(26-20(11)14)13-8-19(21)25-16-9-18-17(7-12(13)16)23-10-24-18/h3-9H,2,10H2,1H3
InChIKey:
FVRVXPPDZRVUSE-UHFFFAOYSA-N

Cite this record

CBID:200544 http://www.chembase.cn/molecule-200544.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(7-ethoxy-1-benzofuran-2-yl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one
IUPAC Traditional name
8-(7-ethoxy-1-benzofuran-2-yl)-2H-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem SID
164256454
PubChem CID
1523058

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1523058 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.118053  LogD (pH = 7.4) 3.118053 
Log P 3.118053  Molar Refractivity 100.7986 cm3
Polarizability 36.493774 Å3 Polar Surface Area 67.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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