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75434-18-3 molecular structure
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6-hydroxyquinoline-2-carboxylic acid

ChemBase ID: 802798
Molecular Formular: C10H7NO3
Molecular Mass: 189.16748
Monoisotopic Mass: 189.04259309
SMILES and InChIs

SMILES:
c1cc2c(cc1O)ccc(n2)C(=O)O
Canonical SMILES:
Oc1ccc2c(c1)ccc(n2)C(=O)O
InChI:
InChI=1S/C10H7NO3/c12-7-2-4-8-6(5-7)1-3-9(11-8)10(13)14/h1-5,12H,(H,13,14)
InChIKey:
KVQARDYXZJGMFU-UHFFFAOYSA-N

Cite this record

CBID:802798 http://www.chembase.cn/molecule-802798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-hydroxyquinoline-2-carboxylic acid
IUPAC Traditional name
6-hydroxyquinoline-2-carboxylic acid
Synonyms
6-HYDROXYQUINOLINE-2-CARBOXYLIC ACID
CAS Number
75434-18-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19347 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19347 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.1779826  H Acceptors
H Donor LogD (pH = 5.5) 0.06460781 
LogD (pH = 7.4) -1.3914286  Log P 0.6629906 
Molar Refractivity 48.8444 cm3 Polarizability 19.876276 Å3
Polar Surface Area 70.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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