(5-cyclopropyl-1,2-oxazol-3-yl)methanol

• ChemBase编号: 143664
• 分子式: C7H9NO2
• 平均质量: 139.15186
• 单一同位素质量: 139.06332853
• SMILES: c1c(noc1C1CC1)CO
• Canonical SMILES: OCc1noc(c1)C1CC1
• InChI: InChI=1S/C7H9NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3,5,9H,1-2,4H2
• InChIKey: NUYRQGMZXHHVQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-cyclopropyl-1,2-oxazol-3-yl)methanol
• IUPAC传统名: (5-cyclopropyl-1,2-oxazol-3-yl)methanol
• 别名: (5-Cyclopropyl-3-isoxazolyl)methanol; (5-cyclopropyl-3-isoxazolyl)methanol

登记号

• CAS号: 1060817-48-2
• MDL号: MFCD11053969
• PubChem SID: 162237881
• PubChem CID: 28065039

理论计算性质

• Acid pKa: 13.758732
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.27524346
• LogD (pH = 7.4): 0.2752438
• Log P: 0.27524397
• 摩尔折射率: 36.1368 cm^3
• 极化性: 13.534552 Å^3
• 极化表面积: 46.26 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C7H9NO2

详细说明

Sigma Aldrich - CBR00060

Other Notes
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