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154386-35-3 molecular structure
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2-hydroxy-6-methoxyquinoline-3-carboxylic acid

ChemBase ID: 258964
Molecular Formular: C11H9NO4
Molecular Mass: 219.19346
Monoisotopic Mass: 219.05315777
SMILES and InChIs

SMILES:
c1(c(nc2c(c1)cc(cc2)OC)O)C(=O)O
Canonical SMILES:
COc1ccc2c(c1)cc(c(n2)O)C(=O)O
InChI:
InChI=1S/C11H9NO4/c1-16-7-2-3-9-6(4-7)5-8(11(14)15)10(13)12-9/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey:
UQSQHYZKZYCWPQ-UHFFFAOYSA-N

Cite this record

CBID:258964 http://www.chembase.cn/molecule-258964.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxy-6-methoxyquinoline-3-carboxylic acid
IUPAC Traditional name
2-hydroxy-6-methoxyquinoline-3-carboxylic acid
Synonyms
2-hydroxy-6-methoxyquinoline-3-carboxylic acid
2-Hydroxy-6-methoxy-quinoline-3-carboxylic acid
CAS Number
154386-35-3
MDL Number
MFCD02587957
PubChem SID
164314874
PubChem CID
1133173

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1133173 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4849195  H Acceptors
H Donor LogD (pH = 5.5) 0.5632055 
LogD (pH = 7.4) -0.80882984  Log P 2.5717044 
Molar Refractivity 55.9931 cm3 Polarizability 22.40479 Å3
Polar Surface Area 79.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
309 - 311°C expand Show data source
Hydrophobicity(logP)
3.423 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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