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814-95-9 molecular structure
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1,3-dioxa-2-strontacyclopentane-4,5-dione

ChemBase ID: 139303
Molecular Formular: C2O4Sr
Molecular Mass: 175.639
Monoisotopic Mass: 175.88527048
SMILES and InChIs

SMILES:
C1(=O)C(=O)O[Sr]O1
Canonical SMILES:
O=C1O[Sr]OC1=O
InChI:
InChI=1S/C2H2O4.Sr/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
InChIKey:
KQAGKTURZUKUCH-UHFFFAOYSA-L

Cite this record

CBID:139303 http://www.chembase.cn/molecule-139303.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dioxa-2-strontacyclopentane-4,5-dione
IUPAC Traditional name
strontium oxalate
Synonyms
Strontium oxalate
草酸锶
CAS Number
814-95-9
EC Number
212-415-6
MDL Number
MFCD00050803
PubChem SID
162233551
24880716
PubChem CID
16212826

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
574163 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212826 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0814  LogD (pH = 7.4) 1.0814 
Log P 1.0814  Molar Refractivity 12.5834 cm3
Polarizability 9.911606 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
21/22 expand Show data source
Safety Statements
24/25 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.999% trace metals basis expand Show data source
Linear Formula
SrC2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 574163 external link
Packaging
15 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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