ethyl 2-(oxetan-3-yl)acetate

• ChemBase编号: 136368
• 分子式: C7H12O3
• 平均质量: 144.16838
• 单一同位素质量: 144.07864424
• SMILES: CCOC(=O)CC1COC1
• Canonical SMILES: CCOC(=O)CC1COC1
• InChI: InChI=1S/C7H12O3/c1-2-10-7(8)3-6-4-9-5-6/h6H,2-5H2,1H3
• InChIKey: GCHXUULRRZDDFC-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD14586417
• PubChem SID: 162230638
• PubChem CID: 13403883

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.1193367
• LogD (pH = 7.4): 0.1193367
• Log P: 0.1193367
• 摩尔折射率: 36.1094 cm^3
• 极化性: 14.39813 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H12O3

详细说明

Sigma Aldrich - L500135

Other Notes
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