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3479-30-9 molecular structure
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bis(prop-2-en-1-yl) phosphonate

ChemBase ID: 107479
Molecular Formular: C6H11O3P
Molecular Mass: 162.123501
Monoisotopic Mass: 162.04458084
SMILES and InChIs

SMILES:
C=CCOP(=O)OCC=C
Canonical SMILES:
C=CCOP(=O)OCC=C
InChI:
InChI=1S/C6H11O3P/c1-3-5-8-10(7)9-6-4-2/h3-4,10H,1-2,5-6H2
InChIKey:
XHJSDYZZKCDLFI-UHFFFAOYSA-N

Cite this record

CBID:107479 http://www.chembase.cn/molecule-107479.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(prop-2-en-1-yl) phosphonate
IUPAC Traditional name
bis(prop-2-en-1-yl) phosphonate
Synonyms
DIALLYL ALLYLPHOSPHONATE
CAS Number
3479-30-9
PubChem SID
162093391
PubChem CID
6327420

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203901 external link Add to cart Please log in.
Data Source Data ID
PubChem 6327420 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4872  LogD (pH = 7.4) 1.4872 
Log P 1.4872  Molar Refractivity 39.8621 cm3
Polarizability 16.004768 Å3 Polar Surface Area 35.53 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 - 05203901 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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