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10288-36-5 molecular structure
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2,3-dihydro-1,4-benzodioxin-5-ol

ChemBase ID: 67071
Molecular Formular: C8H8O3
Molecular Mass: 152.14732
Monoisotopic Mass: 152.04734412
SMILES and InChIs

SMILES:
O1CCOc2c1cccc2O
Canonical SMILES:
Oc1cccc2c1OCCO2
InChI:
InChI=1S/C8H8O3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,9H,4-5H2
InChIKey:
IGXSSRPZRAIXQF-UHFFFAOYSA-N

Cite this record

CBID:67071 http://www.chembase.cn/molecule-67071.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydro-1,4-benzodioxin-5-ol
IUPAC Traditional name
2,3-dihydro-1,4-benzodioxin-5-ol
Synonyms
2,3-Dihydro-1,4-benzodioxin-5-ol
CAS Number
10288-36-5
MDL Number
MFCD02103729
PubChem SID
162032807
PubChem CID
82520

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.976364  H Acceptors
H Donor LogD (pH = 5.5) 1.1827986 
LogD (pH = 7.4) 1.1816705  Log P 1.182813 
Molar Refractivity 38.9963 cm3 Polarizability 15.264235 Å3
Polar Surface Area 38.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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