72472-92-5 (4H-1-苯并吡喃-4-酮，5,7-二羟基-2-（3-羟基苯基）-,4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxyphenyl)-)

快速询单

结构式：

4H-1-苯并吡喃-4-酮，5,7-二羟基-2-（3-羟基苯基）-MOL文件

CAS号：

72472-92-5

中文名称：

4H-1-苯并吡喃-4-酮，5,7-二羟基-2-（3-羟基苯基）-

英文名称：

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxyphenyl)-

分子式：

C₁₅H₁₀O₅

分子量：

270.236904621124

4H-1-苯并吡喃-4-酮，5,7-二羟基-2-（3-羟基苯基）-(72472-92-5)名称与标识符

名称

英文别名：

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxyphenyl)-;5,7-dihydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one;BDBM50445690;CHEMBL457821;72472-92-5;5,7,3'-trihydroxyflavone;

标识符

InChIKey：

BEXPKGWBRBLIIC-UHFFFAOYSA-N

Inchi：

1S/C15H10O5/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H

SMILES：

O1C(=CC(C2C(=CC(=CC1=2)O)O)=O)C1C=CC=C(C=1)O

4H-1-苯并吡喃-4-酮，5,7-二羟基-2-（3-羟基苯基）-(72472-92-5)物化性质

实验特性

PSA : 86.99

计算特性

精确分子量 : 270.0528
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 270.05282342g/mol
重原子数量 : 20
复杂度 : 419
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.7
拓扑分子极性表面积 : 87Å²

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