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31823-05-9 molecular structure
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1-benzofuran-5-ylmethanol

ChemBase ID: 101088
Molecular Formular: C9H8O2
Molecular Mass: 148.15862
Monoisotopic Mass: 148.0524295
SMILES and InChIs

SMILES:
c12c(occ1)ccc(c2)CO
Canonical SMILES:
OCc1ccc2c(c1)cco2
InChI:
InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChIKey:
XSLXZYDPOMAXTM-UHFFFAOYSA-N

Cite this record

CBID:101088 http://www.chembase.cn/molecule-101088.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzofuran-5-ylmethanol
IUPAC Traditional name
1-benzofuran-5-ylmethanol
Synonyms
1-benzofuran-5-ylmethanol
CAS Number
31823-05-9
MDL Number
MFCD04115373
PubChem SID
162087021
PubChem CID
2795179

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 2795179 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.885714  H Acceptors
H Donor LogD (pH = 5.5) 1.3650194 
LogD (pH = 7.4) 1.3650194  Log P 1.3650194 
Molar Refractivity 41.715 cm3 Polarizability 17.171541 Å3
Polar Surface Area 33.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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