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95-18-1 (4-hydroxy-1,3-benzoxathiol-2-one,4-hydroxy-1,3-benzoxathiol-2-one)

结构式：

4-hydroxy-1,3-benzoxathiol-2-one结构式图片|95-18-1结构式图片

4-hydroxy-1,3-benzoxathiol-2-oneMOL文件

CAS号：

95-18-1

中文名称：

4-hydroxy-1,3-benzoxathiol-2-one

英文名称：

4-hydroxy-1,3-benzoxathiol-2-one

分子式：

C₇H₄O₃S

分子量：

168.169860839844

相关分类：

溶剂及有机化学品 > 有机化合物 > Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids

4-hydroxy-1,3-benzoxathiol-2-one(95-18-1)名称与标识符

名称

中文别名：

苯甲羟肟酸;

英文别名：

4-hydroxy-1,3-benzoxathiol-2-one;4-hydroxy-1,3(2H)-benzoxathiol-2-one;4-Hydroxy-1,3-(2H)-benzoxathiol-2-one;4-Hydroxy-2H-1,3-benzoxathiol-2-on;SureCN1962743;NCIOpen2_000332;Stepin;AmbscH-073938;4-hydroxy-benzo[1,3]oxathiol-2-one;AC1L5J3Q;4-Hydroxy-2-oxobenzoxathiol;4-Hydroxy-2-oxy-benzoxathiol;1,3-Benzoxathiol-2-one, 4-hydroxy-;WLN: T56 BOVSJ FQ;UNII-37I4BS493F;NPSJCZBBMWLOLH-UHFFFAOYSA-N;4-Hydroxy-1,3-benzoxathiol-2-one [INCI];Resorcinol, cyclic 0,S-carbonate;SCHEMBL1962743;Thiolcarbonic acid 4-hydroxy-o-phenylene ester;Carbonic acid, cyclic 0(1),s(2)-3-hydroxy-0-phenylene ester;NSC71282;95-18-1;NS00013748;37I4BS493F;DTXCID30164205;Carbonic acid, cyclic 0,S-ester with 2-mercaptoresorcinol;Q27256683;DTXSID00241714;Resorcinol, cyclic thiocarbonate;NSC-71282;

标识符

InChIKey：

NPSJCZBBMWLOLH-UHFFFAOYSA-N

Inchi：

1S/C7H4O3S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3,8H

SMILES：

S1C(=O)OC2C=CC=C(C1=2)O

4-hydroxy-1,3-benzoxathiol-2-one(95-18-1)物化性质

实验特性

LogP : 1.56010
PSA : 78.68000
折射率 : 1.718
沸点 : 319.6°C at 760 mmHg
闪点 : 147.1°C
密度 : 1.617

计算特性

精确分子量 : 167.988
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 167.988
重原子数量 : 11
复杂度 : 183
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） : 1.9
拓扑分子极性表面积 : 71.8Å²

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8. Regio- and stereo-selective oxidation of β-boswellic acids transformed by filamentous fungi
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9. Asymmetric synthesis of (3S?)-2,3,4,5-tetrahydropyridazine-3-carboxylic acid and its methyl ester??
Ian H. Aspinall,Phillip M. Cowley,Glynn Mitchell,Clive M. Raynor,Richard J. Stoodley J. Chem. Soc. Perkin Trans. 1 1999 2591
10. Rates of pyrolysis and bond energies of substituted organic iodides. Part II
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目录

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960化工网为您提供4-hydroxy-1,3-benzoxathiol-2-one专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.95-18-1,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:95-18-1 国际站:95-18-1

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