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62124-77-0 molecular structure
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ethyl 3-oxo-3-(pyrazin-2-yl)propanoate

ChemBase ID: 812868
Molecular Formular: C9H10N2O3
Molecular Mass: 194.1873
Monoisotopic Mass: 194.06914219
SMILES and InChIs

SMILES:
C(=O)(CC(=O)c1cnccn1)OCC
Canonical SMILES:
CCOC(=O)CC(=O)c1cnccn1
InChI:
InChI=1S/C9H10N2O3/c1-2-14-9(13)5-8(12)7-6-10-3-4-11-7/h3-4,6H,2,5H2,1H3
InChIKey:
OPBDMDPBJKVMNL-UHFFFAOYSA-N

Cite this record

CBID:812868 http://www.chembase.cn/molecule-812868.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-oxo-3-(pyrazin-2-yl)propanoate
IUPAC Traditional name
ethyl 3-oxo-3-(pyrazin-2-yl)propanoate
Synonyms
ETHYL 3-OXO-3-PYRAZIN-2-YL-PROPIONATE
CAS Number
62124-77-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33616 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33616 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.545231  H Acceptors
H Donor LogD (pH = 5.5) -0.123709865 
LogD (pH = 7.4) -0.1267647  Log P -0.123670734 
Molar Refractivity 47.6368 cm3 Polarizability 18.640497 Å3
Polar Surface Area 69.15 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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