4737-26-2 (3-苯基-3,4-二氢-2H-色烯,3-phenyl-3,4-dihydro-2H-chromene)

快速询单

结构式：

3-苯基-3,4-二氢-2H-色烯MOL文件

CAS号：

4737-26-2

中文名称：

3-苯基-3,4-二氢-2H-色烯

英文名称：

3-phenyl-3,4-dihydro-2H-chromene

分子式：

C₁₅H₁₄O

分子量：

210.271064281464

3-苯基-3,4-二氢-2H-色烯(4737-26-2)名称与标识符

名称

英文别名：

3-phenyl-3,4-dihydro-2H-chromene;2H-1-benzopyran, 3,4-dihydro-3-phenyl-;3-Phenylchroman;4737-26-2;NNQSGBRGJHSRFN-UHFFFAOYSA-N;CHEBI:38740;CHEMBL1957039;SCHEMBL577507;isoflavan;Q27104450;XI161823;DTXSID001318654;3-phenylchromane;

标识符

InChIKey：

NNQSGBRGJHSRFN-UHFFFAOYSA-N

Inchi：

1S/C15H14O/c1-2-6-12(7-3-1)14-10-13-8-4-5-9-15(13)16-11-14/h1-9,14H,10-11H2

SMILES：

O1C2C=CC=CC=2CC(C2C=CC=CC=2)C1

3-苯基-3,4-二氢-2H-色烯(4737-26-2)物化性质

实验特性

PSA : 9.23
折射率 : 1.588
沸点 : 322°C at 760 mmHg
闪点 : 144.6°C
密度 : 1.098

计算特性

精确分子量 : 210.10452
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 210.104
重原子数量 : 16
复杂度 : 220
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 : 1
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） : 3.7
拓扑分子极性表面积 : 9.2Å²

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