disodium (13C2)oxalate

• ChemBase ID: 149213
• Molecular Formular: C2Na2O4
• Molecular Mass: 135.98384968
• Monoisotopic Mass: 135.96590672
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (^1^3C₂)oxalate
• IUPAC Traditional name: disodium (^1^3C₂)oxalate
• Synonyms: Oxalic acid-13C2 sodium salt; Sodium oxalate-13C2; 草酸-13C2 钠盐; 草酸钠-13C2

Database IDs

• CAS Number: 260429-91-2
• MDL Number: MFCD00084074
• PubChem SID: 162243381; 24872562
• PubChem CID: 16213467

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 36.1128 cm^3
• Polarizability: 5.6277657 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250-270 °C (dec.)(lit.)
• Mass Shift: M+2

Safety Information

• German water hazard class: 3
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 135.96 by atom % calculation
• Linear Formula: Na213C2O4

DETAILS

Sigma Aldrich - 490458

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.