28777-87-9 ((Benzaldehyde, hydroxy-)

快速询单

结构式：

Benzaldehyde, hydroxy-MOL文件

CAS号：

28777-87-9

英文名称：

Benzaldehyde, hydroxy-

分子式：

C₇H₆O₂

分子量：

122.12134

植物源：

黑涩石楠蚊子草

Benzaldehyde, hydroxy-(28777-87-9)名称与标识符

名称

英文别名：

Benzaldehyde, hydroxy-;Hydroxybenzaldehyde;

标识符

InChIKey：

SMQUZDBALVYZAC-UHFFFAOYSA-N

Inchi：

InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H

SMILES：

OC1C=CC=CC=1C=O

Benzaldehyde, hydroxy-(28777-87-9)物化性质

实验特性

PSA : 37.3
沸点 : 190 deg C (40 Pa)

计算特性

精确分子量 : 122.03678
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 14
同位素质量 : 332.319149
重原子数量 : 24
复杂度 : 243
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 : 2
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
拓扑分子极性表面积 : 24.1

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