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73776-18-8 molecular structure
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methyl 3-hydroxyquinoline-4-carboxylate

ChemBase ID: 804467
Molecular Formular: C11H9NO3
Molecular Mass: 203.19406
Monoisotopic Mass: 203.05824315
SMILES and InChIs

SMILES:
c1cc2c(cc1)c(c(cn2)O)C(=O)OC
Canonical SMILES:
COC(=O)c1c(O)cnc2c1cccc2
InChI:
InChI=1S/C11H9NO3/c1-15-11(14)10-7-4-2-3-5-8(7)12-6-9(10)13/h2-6,13H,1H3
InChIKey:
NHVBBJBFKMAMEH-UHFFFAOYSA-N

Cite this record

CBID:804467 http://www.chembase.cn/molecule-804467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-hydroxyquinoline-4-carboxylate
IUPAC Traditional name
methyl 3-hydroxyquinoline-4-carboxylate
Synonyms
3-HYDROXY-4-QUINOLINECARBOXYLIC ACID METHYL ESTER
CAS Number
73776-18-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21447 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21447 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.544656  H Acceptors
H Donor LogD (pH = 5.5) 2.4794734 
LogD (pH = 7.4) 2.4777086  Log P 2.480812 
Molar Refractivity 53.9855 cm3 Polarizability 21.971172 Å3
Polar Surface Area 59.42 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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