ethyl 2-(oxetan-3-yloxy)acetate

• ChemBase编号: 136376
• 分子式: C7H12O4
• 平均质量: 160.16778
• 单一同位素质量: 160.07355886
• SMILES: CCOC(=O)COC1COC1
• Canonical SMILES: CCOC(=O)COC1COC1
• InChI: InChI=1S/C7H12O4/c1-2-10-7(8)5-11-6-3-9-4-6/h6H,2-5H2,1H3
• InChIKey: UQWKKGRZXIXMEI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2-(oxetan-3-yloxy)acetate
• IUPAC传统名: ethyl 2-(oxetan-3-yloxy)acetate
• 别名: Ethyl (3-oxetanyloxy)acetate

登记号

• MDL号: MFCD14586421
• PubChem SID: 162230646
• PubChem CID: 53484286

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.05349863
• LogD (pH = 7.4): -0.05349863
• Log P: -0.05349863
• 摩尔折射率: 37.3595 cm^3
• 极化性: 15.146889 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338

产品相关信息

• Empirical Formula (Hill Notation): C7H12O4

详细说明

Sigma Aldrich - L500240

Other Notes
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