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10222-62-5 molecular structure
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2-methoxyquinoline-4-carboxylic acid

ChemBase ID: 16534
Molecular Formular: C11H9NO3
Molecular Mass: 203.19406
Monoisotopic Mass: 203.05824315
SMILES and InChIs

SMILES:
c12c(cc(nc1cccc2)OC)C(=O)O
Canonical SMILES:
COc1nc2ccccc2c(c1)C(=O)O
InChI:
InChI=1S/C11H9NO3/c1-15-10-6-8(11(13)14)7-4-2-3-5-9(7)12-10/h2-6H,1H3,(H,13,14)
InChIKey:
ZMHKFJMROFPASK-UHFFFAOYSA-N

Cite this record

CBID:16534 http://www.chembase.cn/molecule-16534.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxyquinoline-4-carboxylic acid
IUPAC Traditional name
2-methoxyquinoline-4-carboxylic acid
Synonyms
2-methoxyquinoline-4-carboxylic acid
2-Methoxy-quinoline-4-carboxylic acid
CAS Number
10222-62-5
MDL Number
MFCD01550057
PubChem SID
160979841
PubChem CID
1130354

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.5380418  H Acceptors
H Donor LogD (pH = 5.5) 0.26975498 
LogD (pH = 7.4) -1.1385461  Log P 2.2252696 
Molar Refractivity 54.0122 cm3 Polarizability 21.789684 Å3
Polar Surface Area 59.42 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
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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