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23813-24-3 molecular structure
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methyl 6-methoxypyrazine-2-carboxylate

ChemBase ID: 289292
Molecular Formular: C7H8N2O3
Molecular Mass: 168.15002
Monoisotopic Mass: 168.05349213
SMILES and InChIs

SMILES:
O=C(c1nc(OC)cnc1)OC
Canonical SMILES:
COc1cncc(n1)C(=O)OC
InChI:
InChI=1S/C7H8N2O3/c1-11-6-4-8-3-5(9-6)7(10)12-2/h3-4H,1-2H3
InChIKey:
XCRKUEOKCLKUNJ-UHFFFAOYSA-N

Cite this record

CBID:289292 http://www.chembase.cn/molecule-289292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 6-methoxypyrazine-2-carboxylate
IUPAC Traditional name
methyl 6-methoxypyrazine-2-carboxylate
Synonyms
Methyl 6-methoxy-2-pyrazinecarboxylate
6-Methoxy-pyrazine-2-carboxylic acid methyl ester
CAS Number
23813-24-3
PubChem SID
180674823
PubChem CID
23273562

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23273562 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 0.16401452  H Acceptors
H Donor LogD (pH = 5.5) 0.16401446 
Log P 0.16401452  Molar Refractivity 40.1742 cm3
Polarizability 15.587181 Å3 Polar Surface Area 61.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source
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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