6-nitroso-2H-chromen-2-one

• ChemBase编号: 133461
• 分子式: C9H5NO3
• 平均质量: 175.1409
• 单一同位素质量: 175.02694303
• SMILES: c1cc(=O)oc2c1cc(cc2)N=O
• Canonical SMILES: O=Nc1ccc2c(c1)ccc(=O)o2
• InChI: InChI=1S/C9H5NO3/c11-9-4-1-6-5-7(10-12)2-3-8(6)13-9/h1-5H
• InChIKey: HXTDAUGEZTYMGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-nitroso-2H-chromen-2-one
• IUPAC传统名: 6-nitrosochromen-2-one
• 别名: 6-Nitroso-1,2-benzopyrone

登记号

• CAS号: 130506-22-8
• MDL号: MFCD00214343
• PubChem SID: 24278595; 162227738
• PubChem CID: 1871

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.861056
• LogD (pH = 7.4): 1.8610675
• Log P: 1.8610677
• 摩尔折射率: 47.122 cm^3
• 极化性: 16.746016 Å^3
• 极化表面积: 55.73 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

详细说明

Sigma Aldrich - N8403

Application
Binds to the DNA-recognizing domain of ADP-ribosyltransferase and preferentially destabilizes one of the two zinc finger polypeptide complexes. The affected enzyme loses almost all activity, but still binds to DNA.
Binds to the DNA-recognizing domain of ADP-ribosyltransferase and preferentially destabilizes one of the two zinc finger polypeptide complexes. The affected enzyme loses almost all activity, but still binds to DNA.1>