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21661-97-2 molecular structure
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dec-7-enal

ChemBase ID: 107101
Molecular Formular: C10H18O
Molecular Mass: 154.24932
Monoisotopic Mass: 154.1357652
SMILES and InChIs

SMILES:
CC/C=C/CCCCCC=O
Canonical SMILES:
O=CCCCCC/C=C/CC
InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3
InChIKey:
UZFFFFWQKMPLAC-UHFFFAOYSA-N

Cite this record

CBID:107101 http://www.chembase.cn/molecule-107101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dec-7-enal
IUPAC Traditional name
dec-7-enal
Synonyms
cis-7-DECEN-1-AL
CAS Number
21661-97-2
EC Number
244-512-4
PubChem SID
162093000
PubChem CID
5857489

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202546 external link Add to cart Please log in.
Data Source Data ID
PubChem 5857489 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.551788  H Acceptors
H Donor LogD (pH = 5.5) 3.0686328 
LogD (pH = 7.4) 3.0686328  Log P 3.0686328 
Molar Refractivity 49.6688 cm3 Polarizability 18.9974 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202546 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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