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2561-85-5 molecular structure
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3-dodecyloxolane-2,5-dione

ChemBase ID: 109596
Molecular Formular: C16H28O3
Molecular Mass: 268.39172
Monoisotopic Mass: 268.20384476
SMILES and InChIs

SMILES:
CCCCCCCCCCCCC1CC(=O)OC1=O
Canonical SMILES:
CCCCCCCCCCCCC1CC(=O)OC1=O
InChI:
InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3
InChIKey:
YAXXOCZAXKLLCV-UHFFFAOYSA-N

Cite this record

CBID:109596 http://www.chembase.cn/molecule-109596.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-dodecyloxolane-2,5-dione
IUPAC Traditional name
dodecenyl succinic anhydride
Synonyms
Dodecenyl succinic anhydride
DODECYLSUCCINIC ANHYDRIDE
CAS Number
2561-85-5
25377-73-5
EC Number
219-880-4
PubChem SID
162095154
PubChem CID
98107
Chemspider ID
88579
Wikipedia Title
Dodecenyl_succinic_anhydride

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
MP Biomedicals
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1689305  LogD (pH = 7.4) 5.1689305 
Log P 5.1689305  Molar Refractivity 75.5171 cm3
Polarizability 30.305735 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

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

REFERENCES

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PATENTS

PATENTS

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