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23681-89-2 molecular structure
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2,3-dihydro-1-benzofuran-6-ol

ChemBase ID: 290016
Molecular Formular: C8H8O2
Molecular Mass: 136.14792
Monoisotopic Mass: 136.0524295
SMILES and InChIs

SMILES:
Oc1ccc2CCOc2c1
Canonical SMILES:
Oc1ccc2c(c1)OCC2
InChI:
InChI=1S/C8H8O2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,9H,3-4H2
InChIKey:
IAFNMXBIRZBSFU-UHFFFAOYSA-N

Cite this record

CBID:290016 http://www.chembase.cn/molecule-290016.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1-benzofuran-6-ol
IUPAC Traditional name
2,3-dihydro-1-benzofuran-6-ol
Synonyms
2,3-Dihydrobenzofuran-6-ol
CAS Number
23681-89-2
PubChem SID
180675547
PubChem CID
12236540

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12236540 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.747187  H Acceptors
H Donor LogD (pH = 5.5) 1.5518733 
LogD (pH = 7.4) 1.549961  Log P 1.5518978 
Molar Refractivity 37.8117 cm3 Polarizability 14.483453 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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