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1190322-55-4 molecular structure
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methyl 4-hydroxy-2-methoxypyridine-3-carboxylate

ChemBase ID: 52681
Molecular Formular: C8H9NO4
Molecular Mass: 183.16136
Monoisotopic Mass: 183.05315777
SMILES and InChIs

SMILES:
c1cnc(c(c1O)C(=O)OC)OC
Canonical SMILES:
COC(=O)c1c(O)ccnc1OC
InChI:
InChI=1S/C8H9NO4/c1-12-7-6(8(11)13-2)5(10)3-4-9-7/h3-4H,1-2H3,(H,9,10)
InChIKey:
ULLSDTCWMVMWGT-UHFFFAOYSA-N

Cite this record

CBID:52681 http://www.chembase.cn/molecule-52681.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-hydroxy-2-methoxypyridine-3-carboxylate
IUPAC Traditional name
methyl 4-hydroxy-2-methoxypyridine-3-carboxylate
Synonyms
Methyl 4-hydroxy-2-methoxynicotinate
CAS Number
1190322-55-4
MDL Number
MFCD12912140
PubChem SID
162057444
PubChem CID
49757945

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057345 external link Add to cart Please log in.
Data Source Data ID
PubChem 49757945 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.148179  H Acceptors
H Donor LogD (pH = 5.5) 1.5422597 
LogD (pH = 7.4) 1.5421948  Log P 1.5422713 
Molar Refractivity 44.684 cm3 Polarizability 17.080584 Å3
Polar Surface Area 68.65 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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