54418-69-8 (4β-甲基-5-苯基噁唑啉-2-酮,2-Oxazolidinone,4-methyl-5-phenyl-)

快速询单

结构式：

4β-甲基-5-苯基噁唑啉-2-酮MOL文件

CAS号：

54418-69-8

中文名称：

4β-甲基-5-苯基噁唑啉-2-酮

英文名称：

2-Oxazolidinone,4-methyl-5-phenyl-

分子式：

C₁₀H₁₁NO₂

分子量：

177.199842691422

4β-甲基-5-苯基噁唑啉-2-酮(54418-69-8)名称与标识符

名称

中文别名：

4β-甲基-5-苯基噁唑啉-2-酮;

英文别名：

2-Oxazolidinone,4-methyl-5-phenyl-;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4β-Methyl-5-phenyloxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-2-oxazolidinone;(4S,5R)-(-)-4-Methyl-2-oxo-5-phenyl-1,3-oxazolidine;(4S,5R)-(-)-4-methyl-5-phenyloxazolidin-2-one;(4S,5R)-(+)-4-methyl-5-phenyl-oxazolidinone;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-oxazolidin-2-one;2-O;2-Oxazolidinone, 4-methyl-5-phenyl-,(4S-trans)-;2-Oxazolidinone,4-methyl-5-phenyl-, (4S,5S)-(+)- (8CI);AG-E-20293;CTK4D3781;SureCN5544656;SY012058;ICCB3_000185;FT-0671941;4-Methyl-5-phenyl-1,3-oxazolidin-2-one-, (4R-cis)-;NSC-69199;SY012059;methyl-5-phenyl-2-oxazolidinone;4-methyl-5-phenyloxazolidinone;(4S,5R)-(?)-4-Methyl-5-phenyl-2-oxazolidinone;AKOS015913862;NS00124447;4-Methyl-5-phenyloxazolidin-2-one;LS-13771;BCP10608;2-Oxazolidinone, 4-methyl-5-phenyl-, (4R,5S)-rel-;FT-0604812;BCP21631;4-methyl-5-phenyl-oxazolidin-2-one;NCIOpen2_000611;4-methyl-5-phenyl-2-oxazolidinone;CBiol_000537;SCHEMBL338191;FT-0604809;NSC69199;54418-69-8;

标识符

InChIKey：

PPIBJOQGAJBQDF-UHFFFAOYSA-N

Inchi：

1S/C10H11NO2/c1-7-9(13-10(12)11-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)

SMILES：

O1C(NC(C)C1C1C=CC=CC=1)=O

4β-甲基-5-苯基噁唑啉-2-酮(54418-69-8)物化性质

实验特性

PSA : 38.33
沸点 : 395.8°Cat760mmHg
闪点 : 193.2°C
密度 : 1.132

计算特性

精确分子量 : 177.07903
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 177.079
重原子数量 : 13
复杂度 : 199
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
疏水参数计算参考值（XlogP） : 1.7
拓扑分子极性表面积 : 38.3Å²

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