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1432075-68-7 molecular structure
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7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-methoxy-2H-chromen-2-one

ChemBase ID: 304044
Molecular Formular: C20H24O4
Molecular Mass: 328.40216
Monoisotopic Mass: 328.16745925
SMILES and InChIs

SMILES:
c1c(cc2c(c1OC)ccc(=O)o2)OC/C=C(/CCC=C(C)C)\C
Canonical SMILES:
COc1cc(OC/C=C(/CCC=C(C)C)\C)cc2c1ccc(=O)o2
InChI:
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-16-12-18(22-4)17-8-9-20(21)24-19(17)13-16/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
InChIKey:
ORBVONLAJRGOAY-XNTDXEJSSA-N

Cite this record

CBID:304044 http://www.chembase.cn/molecule-304044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-methoxy-2H-chromen-2-one
IUPAC Traditional name
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-5-methoxychromen-2-one
Synonyms
7-Geranyloxy-5-methoxycoumarin
CAS Number
1432075-68-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00099
Data Source Data ID Price
BioBioPha
BBP00099 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4889774  LogD (pH = 7.4) 4.4889774 
Log P 4.4889774  Molar Refractivity 97.3958 cm3
Polarizability 36.825382 Å3 Polar Surface Area 44.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Cryst. expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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