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112372-06-2 molecular structure
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furo[2,3-c]pyridine-2-carbaldehyde

ChemBase ID: 65877
Molecular Formular: C8H5NO2
Molecular Mass: 147.1308
Monoisotopic Mass: 147.03202841
SMILES and InChIs

SMILES:
c1ncc2c(c1)cc(o2)C=O
Canonical SMILES:
O=Cc1cc2c(o1)cncc2
InChI:
InChI=1S/C8H5NO2/c10-5-7-3-6-1-2-9-4-8(6)11-7/h1-5H
InChIKey:
KKUIVASBGOEYGD-UHFFFAOYSA-N

Cite this record

CBID:65877 http://www.chembase.cn/molecule-65877.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
furo[2,3-c]pyridine-2-carbaldehyde
IUPAC Traditional name
furo[2,3-c]pyridine-2-carbaldehyde
Synonyms
Furo[2,3-c]pyridine-2-carbaldehyde
CAS Number
112372-06-2
MDL Number
MFCD15143904
PubChem SID
162031616
PubChem CID
642129

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 642129 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5385437  LogD (pH = 7.4) 0.54708993 
Log P 0.54720026  Molar Refractivity 39.2037 cm3
Polarizability 15.71318 Å3 Polar Surface Area 43.1 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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