methyl 3-methyloxirane-2-carboxylate

• ChemBase编号: 174573
• 分子式: C5H8O3
• 平均质量: 116.11522
• 单一同位素质量: 116.04734412
• SMILES: C1(C(O1)C(=O)OC)C
• Canonical SMILES: COC(=O)C1OC1C
• InChI: InChI=1S/C5H8O3/c1-3-4(8-3)5(6)7-2/h3-4H,1-2H3
• InChIKey: UZVPEDADFDGCGI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 3-methyloxirane-2-carboxylate
• IUPAC传统名: methyl 3-methyloxirane-2-carboxylate
• 别名: 3-Methyl-2-oxiranecarboxylic Acid Methyl Ester; 2,3-Epoxybutyric Acid Methyl Ester; Methyl Epoxycrotonate

登记号

• CAS号: 2980-48-5
• PubChem SID: 164230483
• PubChem CID: 547678

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.20543317
• LogD (pH = 7.4): 0.20543317
• Log P: 0.20543317
• 摩尔折射率: 26.0613 cm^3
• 极化性: 10.756112 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate
• 外观: Colorless Oil

详细说明

Toronto Research Chemicals - M338610

Epoxidation of unsaturated acids or esters was effected by Methylomonas methanica, Methylosinus trichosporium, Methylocystis parvus, or Methylococcus capsulatus.