827308-41-8 (4-苄氧基-[7-13C]苯甲醛,4-Benzyloxy-7-13Cbenzaldehyde)

快速询单

结构式：

4-苄氧基-[7-13C]苯甲醛MOL文件

CAS号：

827308-41-8

中文名称：

4-苄氧基-[7-13C]苯甲醛

英文名称：

4-Benzyloxy-7-13Cbenzaldehyde

分子式：

C₁₄H₁₂O₂

分子量：

213.236538887024

4-苄氧基-[7-13C]苯甲醛(827308-41-8)名称与标识符

名称

中文别名：

4-苄氧基-[7-13C]苯甲醛;

英文别名：

4-Benzyloxy-[7-13C]benzaldehyde;4-phenylmethoxybenzaldehyde;4-(Benzyloxy)(formyl-~13~C)benzaldehyde;827308-41-8;DTXSID70661804;AKOS030242849;

标识符

InChIKey：

ZVTWZSXLLMNMQC-DETAZLGJSA-N

Inchi：

1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2/i10+1

SMILES：

O(C1C=CC([13CH]=O)=CC=1)CC1C=CC=CC=1

4-苄氧基-[7-13C]苯甲醛(827308-41-8)物化性质

实验特性

LogP : 3.07810
PSA : 26.30000

计算特性

精确分子量 : 213.08700
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 4
同位素质量 : 213.087084457g/mol
重原子数量 : 16
复杂度 : 201
同位素原子数量 : 1
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） : 3.3
拓扑分子极性表面积 : 26.3Å²

4-苄氧基-[7-13C]苯甲醛(827308-41-8)相关文献

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