3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-yl N,N-dimethylcarbamate

• ChemBase编号: 198378
• 分子式: C19H17NO6
• 平均质量: 355.34138
• 单一同位素质量: 355.10558727
• SMILES: c1(c(=O)c2c(oc1)cc(OC(=O)N(C)C)cc2)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OC(=O)N(C)C
• InChI: InChI=1S/C19H17NO6/c1-20(2)19(22)26-14-7-8-15-16(10-14)24-11-17(18(15)21)25-13-6-4-5-12(9-13)23-3/h4-11H,1-3H3
• InChIKey: JRRLSPOOSSZGGK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(3-methoxyphenoxy)-4-oxo-4H-chromen-7-yl N,N-dimethylcarbamate
• IUPAC传统名: 3-(3-methoxyphenoxy)-4-oxochromen-7-yl N,N-dimethylcarbamate

登记号

• PubChem SID: 164254288
• PubChem CID: 1034262

理论计算性质

• 摩尔折射率: 93.5811 cm^3
• 极化性: 35.837906 Å^3
• 极化表面积: 74.3 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.789905
• LogD (pH = 7.4): 2.789905
• Log P: 2.789905

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds