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53801-86-8 molecular structure
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calcium dioxophosphinate

ChemBase ID: 108291
Molecular Formular: CaO6P2
Molecular Mass: 198.021922
Monoisotopic Mass: 197.87960196
SMILES and InChIs

SMILES:
[Ca+2].[O-]P(=O)=O.[O-]P(=O)=O
Canonical SMILES:
[O-]P(=O)=O.[O-]P(=O)=O.[Ca+2]
InChI:
InChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
InChIKey:
ROPDWRCJTIRLTR-UHFFFAOYSA-L

Cite this record

CBID:108291 http://www.chembase.cn/molecule-108291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
calcium dioxophosphinate
IUPAC Traditional name
calcium(2+) diO3P
Synonyms
CALCIUM METAPHOSPHATE
CAS Number
53801-86-8
PubChem SID
162095134
PubChem CID
16129693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206835 external link Add to cart Please log in.
Data Source Data ID
PubChem 16129693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.918209  H Acceptors
H Donor LogD (pH = 5.5) -0.90820014 
LogD (pH = 7.4) -0.9082131  Log P -0.9082 
Molar Refractivity 11.1647 cm3 Polarizability 4.634388 Å3
Polar Surface Area 57.2 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 - 05206835 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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