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71082-56-9 molecular structure
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8-ethylquinoline-3-carboxylic acid

ChemBase ID: 805341
Molecular Formular: C12H11NO2
Molecular Mass: 201.22124
Monoisotopic Mass: 201.0789786
SMILES and InChIs

SMILES:
c1c(c2c(cc1)cc(cn2)C(=O)O)CC
Canonical SMILES:
CCc1cccc2c1ncc(c2)C(=O)O
InChI:
InChI=1S/C12H11NO2/c1-2-8-4-3-5-9-6-10(12(14)15)7-13-11(8)9/h3-7H,2H2,1H3,(H,14,15)
InChIKey:
RIMBRLWKVBSXGY-UHFFFAOYSA-N

Cite this record

CBID:805341 http://www.chembase.cn/molecule-805341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-ethylquinoline-3-carboxylic acid
IUPAC Traditional name
8-ethylquinoline-3-carboxylic acid
Synonyms
8-ETHYLQUINOLINE-3-CARBOXYLIC ACID
CAS Number
71082-56-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22630 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22630 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.931681  H Acceptors
H Donor LogD (pH = 5.5) 0.9886904 
LogD (pH = 7.4) -0.53968805  Log P 2.4092247 
Molar Refractivity 56.8777 cm3 Polarizability 22.882837 Å3
Polar Surface Area 50.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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