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91289-36-0 molecular structure
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8-aminoquinoline-2-carboxylic acid

ChemBase ID: 310478
Molecular Formular: C10H8N2O2
Molecular Mass: 188.18272
Monoisotopic Mass: 188.05857751
SMILES and InChIs

SMILES:
n1c2c(N)cccc2ccc1C(=O)O
Canonical SMILES:
OC(=O)c1ccc2c(n1)c(N)ccc2
InChI:
InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)
InChIKey:
YHYCPHGLRYTKCI-UHFFFAOYSA-N

Cite this record

CBID:310478 http://www.chembase.cn/molecule-310478.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-aminoquinoline-2-carboxylic acid
IUPAC Traditional name
8-aminoquinoline-2-carboxylic acid
Synonyms
8-aminoquinoline-2-carboxylic acid
CAS Number
91289-36-0
MDL Number
MFCD00168260

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31486818  LogD (pH = 7.4) -1.8820484 
Log P 0.7124579  Molar Refractivity 51.5639 cm3
Polarizability 20.412577 Å3 Polar Surface Area 76.21 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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