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117247-81-1 molecular structure
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bis(dioxo-1,3-dioxa-2-lutetacyclopentan-2-yl) oxalate hydrate

ChemBase ID: 138666
Molecular Formular: C6H2Lu2O13
Molecular Mass: 632.00588
Monoisotopic Mass: 631.83108212
SMILES and InChIs

SMILES:
C1(=O)C(=O)O[Lu](O1)OC(=O)C(=O)O[Lu]1OC(=O)C(=O)O1.O
Canonical SMILES:
O=C(C(=O)O[Lu]1OC(=O)C(=O)O1)O[Lu]1OC(=O)C(=O)O1.O
InChI:
InChI=1S/3C2H2O4.2Lu.H2O/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);;;1H2/q;;;2*+3;/p-6
InChIKey:
SPSOLIMSGVAOTE-UHFFFAOYSA-H

Cite this record

CBID:138666 http://www.chembase.cn/molecule-138666.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(dioxo-1,3-dioxa-2-lutetacyclopentan-2-yl) oxalate hydrate
IUPAC Traditional name
bis(dioxo-1,3-dioxa-2-lutetacyclopentan-2-yl) oxalate hydrate
Synonyms
Lutetium(III) oxalate hydrate
草酸镥 水合物
CAS Number
117247-81-1
PubChem SID
162232917
24871726
PubChem CID
71310168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
480916 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1442  LogD (pH = 7.4) 4.1442 
Log P 4.1442  Molar Refractivity 37.7502 cm3
Polarizability 31.200998 Å3 Polar Surface Area 157.8 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
Melting Point
>400 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
99.99% trace metals basis expand Show data source
Linear Formula
Lu2(C2O4)3 · xH2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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