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62124-80-5 molecular structure
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ethyl 5,6-dimethylpyrazine-2-carboxylate

ChemBase ID: 292578
Molecular Formular: C9H12N2O2
Molecular Mass: 180.20378
Monoisotopic Mass: 180.08987763
SMILES and InChIs

SMILES:
CCOC(=O)c1cnc(C)c(C)n1
Canonical SMILES:
CCOC(=O)c1cnc(c(n1)C)C
InChI:
InChI=1S/C9H12N2O2/c1-4-13-9(12)8-5-10-6(2)7(3)11-8/h5H,4H2,1-3H3
InChIKey:
MDBOSKHGFXSXED-UHFFFAOYSA-N

Cite this record

CBID:292578 http://www.chembase.cn/molecule-292578.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5,6-dimethylpyrazine-2-carboxylate
IUPAC Traditional name
ethyl 5,6-dimethylpyrazine-2-carboxylate
Synonyms
Ethyl 5,6-dimethylpyrazine-2-carboxylate
CAS Number
62124-80-5
PubChem SID
180678109
PubChem CID
21398890

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241425 Please log in.
Data Source Data ID
PubChem 21398890 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.34677586  LogD (pH = 7.4) 0.34677655 
Log P 0.34677655  Molar Refractivity 47.3291 cm3
Polarizability 18.363697 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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