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138173-83-8 molecular structure
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ethyl furo[2,3-c]pyridine-2-carboxylate

ChemBase ID: 65876
Molecular Formular: C10H9NO3
Molecular Mass: 191.18336
Monoisotopic Mass: 191.05824315
SMILES and InChIs

SMILES:
c1ncc2c(c1)cc(o2)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cc2c(o1)cncc2
InChI:
InChI=1S/C10H9NO3/c1-2-13-10(12)8-5-7-3-4-11-6-9(7)14-8/h3-6H,2H2,1H3
InChIKey:
YIEKKNVBDRSMCX-UHFFFAOYSA-N

Cite this record

CBID:65876 http://www.chembase.cn/molecule-65876.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl furo[2,3-c]pyridine-2-carboxylate
IUPAC Traditional name
ethyl furo[2,3-c]pyridine-2-carboxylate
Synonyms
Ethyl furo[2,3-c]pyridine-2-carboxylate
CAS Number
138173-83-8
MDL Number
MFCD20527951
PubChem SID
162031615
PubChem CID
642130

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 642130 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1897037  LogD (pH = 7.4) 1.1949159 
Log P 1.1949829  Molar Refractivity 49.3936 cm3
Polarizability 20.087875 Å3 Polar Surface Area 52.33 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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