(acetyloxy)dimethylstannyl acetate

• ChemBase ID: 138807
• Molecular Formular: C6H12O4Sn
• Molecular Mass: 266.85808
• Monoisotopic Mass: 267.97575286
• SMILES: CC(=O)O[Sn](C)(C)OC(=O)C
• Canonical SMILES: CC(=O)O[Sn](OC(=O)C)(C)C
• InChI: InChI=1S/2C2H4O2.2CH3.Sn/c2*1-2(3)4;;;/h2*1H3,(H,3,4);2*1H3;/q;;;;+2/p-2
• InChIKey: SDTDHTCWRNVNAJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)dimethylstannyl acetate
• IUPAC Traditional name: (acetyloxy)dimethylstannyl acetate
• Synonyms: Dimethyltin diacetate; 二氧丙酮基二甲基锡

Database IDs

• CAS Number: 13293-57-7
• MDL Number: MFCD00274214
• PubChem SID: 24867379; 162233058
• PubChem CID: 16685172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.96
• LogD (pH = 7.4): -1.96
• Log P: -1.96
• Molar Refractivity: 35.3236 cm^3
• Polarizability: 19.215387 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-71 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3146
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• RID/ADR: UN 3146 6.1/PG 3

Product Information

• Purity: 97%
• Linear Formula: (CH3CO2)2Sn(CH3)2