30867-08-4 (4H-1-苯并吡喃-4-酮，2-（3-羟基-4-甲氧基苯基）-7-甲氧基-,4H-1-Benzopyran-4-one,2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-)

快速询单

结构式：

4H-1-苯并吡喃-4-酮，2-（3-羟基-4-甲氧基苯基）-7-甲氧基-MOL文件

CAS号：

30867-08-4

中文名称：

4H-1-苯并吡喃-4-酮，2-（3-羟基-4-甲氧基苯基）-7-甲氧基-

英文名称：

4H-1-Benzopyran-4-one,2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-

分子式：

C₁₇H₁₄O₅

分子量：

298.290065288544

4H-1-苯并吡喃-4-酮，2-（3-羟基-4-甲氧基苯基）-7-甲氧基-(30867-08-4)名称与标识符

名称

英文别名：

4H-1-Benzopyran-4-one,2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-;7,4'-Dimethoxy-3'-hydroxyflavone;Flavone,3'-hydroxy-4',7-dimethoxy- (8CI);Tithonin;Tithonin (flavone);Titonin;Titonine;4H-1-Benzopyran-4-one, 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-;

标识符

InChIKey：

QPWBUKXPEDEBQI-UHFFFAOYSA-N

Inchi：

1S/C17H14O5/c1-20-11-4-5-12-13(18)9-16(22-17(12)8-11)10-3-6-15(21-2)14(19)7-10/h3-9,19H,1-2H3

SMILES：

C1(C2=CC=C(OC)C(O)=C2)OC2=CC(OC)=CC=C2C(=O)C=1

4H-1-苯并吡喃-4-酮，2-（3-羟基-4-甲氧基苯基）-7-甲氧基-(30867-08-4)物化性质

实验特性

PSA : 64.99
沸点 : 505.0±50.0 °C(Predicted)
熔点 : 190-192 °C
酸度系数(pKa) : 10.06±0.10(Predicted)
密度 : 1.321±0.06 g/cm3(Predicted)

计算特性

精确分子量 : 298.08412
氢键供体数量 : 1
氢键受体数量 : 5
重原子数量 : 22
疏水参数计算参考值（XlogP） : 1.512

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