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959237-46-8 molecular structure
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8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

ChemBase ID: 306959
Molecular Formular: C11H11NO4
Molecular Mass: 221.20934
Monoisotopic Mass: 221.06880784
SMILES and InChIs

SMILES:
c12NC(=O)CC(c1cccc2OC)C(=O)O
Canonical SMILES:
COc1cccc2c1NC(=O)CC2C(=O)O
InChI:
InChI=1S/C11H11NO4/c1-16-8-4-2-3-6-7(11(14)15)5-9(13)12-10(6)8/h2-4,7H,5H2,1H3,(H,12,13)(H,14,15)
InChIKey:
PSFFRBNBXIMPJH-UHFFFAOYSA-N

Cite this record

CBID:306959 http://www.chembase.cn/molecule-306959.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
IUPAC Traditional name
8-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
Synonyms
8-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CAS Number
959237-46-8
MDL Number
MFCD09864273

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) -1.2014706  LogD (pH = 7.4) -2.71719 
Log P 0.5816921  Molar Refractivity 56.889 cm3
Polarizability 21.265673 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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