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33475-53-5 molecular structure
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3-(dec-1-en-1-yl)oxolane-2,5-dione

ChemBase ID: 109858
Molecular Formular: C14H22O3
Molecular Mass: 238.32268
Monoisotopic Mass: 238.15689456
SMILES and InChIs

SMILES:
CCCCCCCC/C=C/C1CC(=O)OC1=O
Canonical SMILES:
CCCCCCCC/C=C/C1CC(=O)OC1=O
InChI:
InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h9-10,12H,2-8,11H2,1H3
InChIKey:
UWERUIGPWOVNGG-UHFFFAOYSA-N

Cite this record

CBID:109858 http://www.chembase.cn/molecule-109858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(dec-1-en-1-yl)oxolane-2,5-dione
IUPAC Traditional name
3-(dec-1-en-1-yl)oxolane-2,5-dione
Synonyms
n-1-DECENYLSUCCINIC ANHYDRIDE
CAS Number
33475-53-5
PubChem SID
162095364
PubChem CID
5354807

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05212811 external link Add to cart Please log in.
Data Source Data ID
PubChem 5354807 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9178717  LogD (pH = 7.4) 3.9178717 
Log P 3.9178717  Molar Refractivity 67.4317 cm3
Polarizability 26.382631 Å3 Polar Surface Area 43.37 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 - 05212811 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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