272-02-6 (呋喃并[2,3-d]嘧啶 (8ci,9ci),Furo[2,3-d]pyrimidine)

快速询单

结构式：

呋喃并[2,3-d]嘧啶 (8ci,9ci)MOL文件

CAS号：

272-02-6

中文名称：

呋喃并[2,3-d]嘧啶 (8ci,9ci)

英文名称：

Furo[2,3-d]pyrimidine

分子式：

C₆H₄N₂O

分子量：

120.10876083374

呋喃并[2,3-d]嘧啶 (8ci,9ci)(272-02-6)名称与标识符

名称

中文别名：

呋喃并[2,3-d]嘧啶 (8ci,9ci);

英文别名：

Furo[2,3-d]pyrimidine;1-Oxa-5,7-diaza-1H-indene;1-Oxa-5,7-diazaindene;272-02-6;SCHEMBL437539;Furo[2,3-d]pyrimidine(8ci,9ci);DTXSID20620603;

标识符

InChIKey：

KQGXYVJZOMKLSA-UHFFFAOYSA-N

Inchi：

1S/C6H4N2O/c1-2-9-6-5(1)3-7-4-8-6/h1-4H

SMILES：

O1C=CC2=CN=CN=C12

呋喃并[2,3-d]嘧啶 (8ci,9ci)(272-02-6)物化性质

实验特性

PSA : 38.92

计算特性

精确分子量 : 120.03242
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 120.032362755g/mol
重原子数量 : 9
复杂度 : 107
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） : 0.9
拓扑分子极性表面积 : 38.9Å²

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