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34785-07-4 molecular structure
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6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

ChemBase ID: 311265
Molecular Formular: C11H9NO4
Molecular Mass: 219.19346
Monoisotopic Mass: 219.05315777
SMILES and InChIs

SMILES:
c1(c(=O)c2c([nH]c1)ccc(c2)OC)C(=O)O
Canonical SMILES:
COc1ccc2c(c1)c(=O)c(c[nH]2)C(=O)O
InChI:
InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
InChIKey:
YUXLPEGMXYHPCZ-UHFFFAOYSA-N

Cite this record

CBID:311265 http://www.chembase.cn/molecule-311265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Traditional name
6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
Synonyms
6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number
34785-07-4
MDL Number
MFCD00024003

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.139138  LogD (pH = 7.4) -0.10927718 
Log P 1.3795018  Molar Refractivity 57.5562 cm3
Polarizability 21.008327 Å3 Polar Surface Area 75.63 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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