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959237-42-4 molecular structure
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6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

ChemBase ID: 306958
Molecular Formular: C11H11NO4
Molecular Mass: 221.20934
Monoisotopic Mass: 221.06880784
SMILES and InChIs

SMILES:
c12C(C(=O)O)CC(=O)Nc1ccc(c2)OC
Canonical SMILES:
COc1ccc2c(c1)C(CC(=O)N2)C(=O)O
InChI:
InChI=1S/C11H11NO4/c1-16-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-4,8H,5H2,1H3,(H,12,13)(H,14,15)
InChIKey:
CSXKQOMETSMOEJ-UHFFFAOYSA-N

Cite this record

CBID:306958 http://www.chembase.cn/molecule-306958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
IUPAC Traditional name
6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
Synonyms
6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CAS Number
959237-42-4
MDL Number
MFCD09864272

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) -1.2235019  LogD (pH = 7.4) -2.7264328 
Log P 0.5816921  Molar Refractivity 56.889 cm3
Polarizability 21.26378 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

INTERNET

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