(14C2)oxalic acid

• ChemBase ID: 132192
• Molecular Formular: C2H2O4
• Molecular Mass: 94.01996398
• Monoisotopic Mass: 94.00179252
• SMILES: [14C](=O)([14C](=O)O)O
• Canonical SMILES: O[14C](=O)[14C](=O)O
• InChI: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/i1+2,2+2
• InChIKey: MUBZPKHOEPUJKR-XPULMUKRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^4C₂)oxalic acid
• IUPAC Traditional name: (^1^4C₂)oxalic acid
• Synonyms: Oxalic acid-14C

Database IDs

• CAS Number: 43058-40-8
• MDL Number: MFCD00078827
• PubChem SID: 24858932; 162226469
• PubChem CID: 12252960

CALCULATED PROPERTIES

• Acid pKa: 1.3639908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.101814
• LogD (pH = 7.4): -6.8848467
• Log P: -0.26375157
• Molar Refractivity: 14.4386 cm^3
• Polarizability: 5.8697963 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: R; Harmful (Xn)
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 21/22
• Safety Statements: 24/25
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-10 mCi per mmol

DETAILS

Sigma Aldrich - 313912

包装
screw cap bottle