prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

• ChemBase编号: 8125
• 分子式: C12H5F17O2
• 平均质量: 504.1397544
• 单一同位素质量: 504.00180914
• SMILES: O=C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC=C
• Canonical SMILES: C=CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
• InChIKey: DCARDCAPXKDJAG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• IUPAC传统名: prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• 别名: Allyl perfluorononanoate 97%; Allyl perfluoro-n-nonanoate

登记号

• CAS号: 117374-33-1
• MDL号: MFCD00080400
• PubChem SID: 160971432
• PubChem CID: 535006

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.6906257
• LogD (pH = 7.4): 6.6906257
• Log P: 6.6906257
• 摩尔折射率: 60.2617 cm^3
• 极化性: 23.292908 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 81°C/10mm

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%