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14497-27-9 molecular structure
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5-propylfuran-2-carbaldehyde

ChemBase ID: 18696
Molecular Formular: C8H10O2
Molecular Mass: 138.1638
Monoisotopic Mass: 138.06807956
SMILES and InChIs

SMILES:
o1c(ccc1CCC)C=O
Canonical SMILES:
CCCc1ccc(o1)C=O
InChI:
InChI=1S/C8H10O2/c1-2-3-7-4-5-8(6-9)10-7/h4-6H,2-3H2,1H3
InChIKey:
VRUAYAKBONDNBE-UHFFFAOYSA-N

Cite this record

CBID:18696 http://www.chembase.cn/molecule-18696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-propylfuran-2-carbaldehyde
IUPAC Traditional name
5-propylfuran-2-carbaldehyde
Synonyms
5-Propyl-furan-2-carbaldehyde
5-propyl-2-furaldehyde
CAS Number
14497-27-9
MDL Number
MFCD08144844
PubChem SID
160982003
PubChem CID
6502009

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6502009 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9126471  LogD (pH = 7.4) 1.9126471 
Log P 1.9126471  Molar Refractivity 39.3076 cm3
Polarizability 14.5475445 Å3 Polar Surface Area 30.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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