2-(oxiran-2-yl)phenol

• ChemBase编号: 171086
• 分子式: C8H8O2
• 平均质量: 136.14792
• 单一同位素质量: 136.0524295
• SMILES: c1ccc(c(c1)C1CO1)O
• Canonical SMILES: Oc1ccccc1C1CO1
• InChI: InChI=1S/C8H8O2/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8-9H,5H2
• InChIKey: YPHJTEHZGLJVJW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(oxiran-2-yl)phenol
• IUPAC传统名: 2-(oxiran-2-yl)phenol
• 别名: 2-(2-Oxiranyl)phenol; 2-Hydroxystyrene Oxide; 2-(2-Hydroxyphenyl)oxirane

登记号

• CAS号: 250597-24-1
• PubChem SID: 164226996
• PubChem CID: 21881664

理论计算性质

• Acid pKa: 9.065979
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.4335822
• LogD (pH = 7.4): 1.4244859
• Log P: 1.4336994
• 摩尔折射率: 37.3072 cm^3
• 极化性: 14.571325 Å^3
• 极化表面积: 32.76 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - H950100

Used in the enzymic preparation of self-crosslinking hydroxyphenyl epoxy compounds.

参考文献

• Shigemasa, Y., et al.: Tetrahed. Lett., 30, 1277 (1989)