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352553-09-4 molecular structure
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1-{5-hydroxynaphtho[1,2-b]furan-3-yl}ethan-1-one

ChemBase ID: 310617
Molecular Formular: C14H10O3
Molecular Mass: 226.2274
Monoisotopic Mass: 226.06299418
SMILES and InChIs

SMILES:
c12c(coc1c1c(c(c2)O)cccc1)C(=O)C
Canonical SMILES:
CC(=O)c1coc2c1cc(O)c1c2cccc1
InChI:
InChI=1S/C14H10O3/c1-8(15)12-7-17-14-10-5-3-2-4-9(10)13(16)6-11(12)14/h2-7,16H,1H3
InChIKey:
WYMLGCDOZHERKB-UHFFFAOYSA-N

Cite this record

CBID:310617 http://www.chembase.cn/molecule-310617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{5-hydroxynaphtho[1,2-b]furan-3-yl}ethan-1-one
IUPAC Traditional name
1-{5-hydroxynaphtho[1,2-b]furan-3-yl}ethanone
Synonyms
1-(5-hydroxynaphtho[1,2-b]furan-3-yl)ethanone
CAS Number
352553-09-4
MDL Number
MFCD00552067

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.375532  LogD (pH = 7.4) 2.3455462 
Log P 2.3759282  Molar Refractivity 63.733 cm3
Polarizability 26.608093 Å3 Polar Surface Area 50.44 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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