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260429-91-2 molecular structure
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disodium (13C2)oxalate

ChemBase ID: 149213
Molecular Formular: C2Na2O4
Molecular Mass: 135.98384968
Monoisotopic Mass: 135.96590672
SMILES and InChIs

SMILES:
[13C](=O)([13C](=O)[O-])[O-].[Na+].[Na+]
Canonical SMILES:
[O-][13C](=O)[13C](=O)[O-].[Na+].[Na+]
InChI:
InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2/i1+1,2+1;;
InChIKey:
ZNCPFRVNHGOPAG-BQTCFENJSA-L

Cite this record

CBID:149213 http://www.chembase.cn/molecule-149213.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
disodium (13C2)oxalate
IUPAC Traditional name
disodium (13C2)oxalate
Synonyms
Oxalic acid-13C2 sodium salt
Sodium oxalate-13C2
草酸-13C2 钠盐
草酸钠-13C2
CAS Number
260429-91-2
MDL Number
MFCD00084074
PubChem SID
162243381
24872562
PubChem CID
16213467

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
490458 external link Add to cart Please log in.
Data Source Data ID
PubChem 16213467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.3639908  H Acceptors
H Donor LogD (pH = 5.5) -5.101814 
LogD (pH = 7.4) -6.8848467  Log P -0.26375157 
Molar Refractivity 36.1128 cm3 Polarizability 5.6277657 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
250-270 °C (dec.)(lit.) expand Show data source
Mass Shift
M+2 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 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
Isotopic Purity
99 atom % 13C expand Show data source
Mol. Weight
mol wt 135.96 by atom % calculation expand Show data source
Linear Formula
Na213C2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 490458 external link
Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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