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134-31-6 molecular structure
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quinolin-8-ol; sulfuric acid

ChemBase ID: 287028
Molecular Formular: C9H9NO5S
Molecular Mass: 243.23646
Monoisotopic Mass: 243.02014339
SMILES and InChIs

SMILES:
Oc1c2ncccc2ccc1.O=S(=O)(O)O
Canonical SMILES:
OS(=O)(=O)O.Oc1cccc2c1nccc2
InChI:
InChI=1S/C9H7NO.H2O4S/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h1-6,11H;(H2,1,2,3,4)
InChIKey:
MRUMAIRJPMUAPZ-UHFFFAOYSA-N

Cite this record

CBID:287028 http://www.chembase.cn/molecule-287028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-8-ol; sulfuric acid
IUPAC Traditional name
8 hydroxyquinoline; sulfuric acid
Synonyms
Quinolin-8-ol sulfate
CAS Number
134-31-6
MDL Number
MFCD00013095
PubChem SID
180672559
PubChem CID
11507008

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD111338 Please log in.
Data Source Data ID
PubChem 11507008 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.3576975  H Acceptors
H Donor LogD (pH = 5.5) 1.7469306 
LogD (pH = 7.4) 1.8207314  Log P 1.8273351 
Molar Refractivity 41.9602 cm3 Polarizability 17.599808 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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