(14C2)dicarbonic acid

• ChemBase ID: 131106
• Molecular Formular: C2H2O5
• Molecular Mass: 110.01936398
• Monoisotopic Mass: 109.99670714
• SMILES: [14C](=O)(O)O[14C](=O)O
• Canonical SMILES: O[14C](=O)O[14C](=O)O
• InChI: InChI=1S/C2H2O5/c3-1(4)7-2(5)6/h(H,3,4)(H,5,6)/i1+2,2+2
• InChIKey: ZFTFAPZRGNKQPU-XPULMUKRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^4C₂)dicarbonic acid
• IUPAC Traditional name: (^1^4C₂)dicarbonic acid
• Synonyms: Acetic anhydride-carbonyl-14C

Database IDs

• CAS Number: 2742-27-0
• MDL Number: MFCD00069963
• PubChem SID: 24890782; 162225384
• PubChem CID: 16218897

CALCULATED PROPERTIES

• Acid pKa: 5.9165487
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.48437738
• LogD (pH = 7.4): -1.6948868
• Log P: 0.6342747
• Molar Refractivity: 15.791 cm^3
• Polarizability: 6.693632 Å^3
• Polar Surface Area: 83.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: neat
• Flash Point: 120 °F; 49 °C
• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Corrosive (C); R
• UN Number: 2910
• German water hazard class: 3
• Hazard Class: 7
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 1-20 mCi per mmol

DETAILS

Sigma Aldrich - A3549

包装
sealed ampule