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710322-57-9 molecular structure
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methyl 5-formylpyrazine-2-carboxylate

ChemBase ID: 814552
Molecular Formular: C7H6N2O3
Molecular Mass: 166.13414
Monoisotopic Mass: 166.03784206
SMILES and InChIs

SMILES:
c1c(ncc(n1)C=O)C(=O)OC
Canonical SMILES:
COC(=O)c1cnc(cn1)C=O
InChI:
InChI=1S/C7H6N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-4H,1H3
InChIKey:
KNAAFIKYVYERNG-UHFFFAOYSA-N

Cite this record

CBID:814552 http://www.chembase.cn/molecule-814552.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 5-formylpyrazine-2-carboxylate
IUPAC Traditional name
methyl 5-formylpyrazine-2-carboxylate
Synonyms
methyl 5-formylpyrazine-2-carboxylate
CAS Number
710322-57-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36742 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36742 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.1142737  LogD (pH = 7.4) 0.114273705 
Log P 0.114273705  Molar Refractivity 39.5963 cm3
Polarizability 14.985173 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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