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7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮 | 19576-08-0

7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮
7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
19576-08-0
C10H12O2
164.2011
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮结构式
87561403
名称和标识符
MDL MFCD00135278
InChIKey FNYAZSZTENLTRT-UHFFFAOYSA-N
Inchi 1S/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3
SMILES O=C1C([H])([H])C([H])([H])C2=C([H])C(C([H])([H])C([H])([H])C21C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮
  • 2,3,7,7a-四氢-7a-甲基-1H-茚-1,5(6H)-二酮
  • 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione 2,3,7,7a-四氢-7a-甲基-1H-茚-1,5(6H)-二酮
  • 3-(1-哌啶基)丙烯酸乙酯
  • 7A-甲基-2,3,5,6,7,7A-六氢-1H-茚-1,5-二酮
  • 2,3,7,7A-四氢-7A-甲基-1H-茚-1,5(6H)-二酮
- 英文别名 -
  • 7a-Methyl-2,3,5,6,7,7a-hexahydro-1H-indene-1,5-dione
  • 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione
  • 7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
  • (-)-(7aR)-7a-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5-(6H)-dione
  • (-)-(7aR)-7a-methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
  • (7aR)-7a-methyl-2,3,5,6,7,7a-hexahydro-1H-indene-1,5-dione
  • (R)-7a-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
  • Hajos-Parrish Ketone
  • Parrish ketone
  • AKOS 90379
  • Hajos-Wiechert ketone
  • 3aβ-Hydroxy-7aβ-methylhydrindane-1,5-dione
  • (3aS)-3aβ-Hydroxy-7aβ-methylhydrindane-1,5-dione
  • (S)-7a-Methyl-2,3,6,7-tetrahydro-7aH-indene-1,5-dione
  • (S)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
  • FNYAZSZTENLTRT-UHFFFAOYSA-N
  • (S)-(+)-2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione
  • 7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
  • (7AS)-7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
  • FCH831379
  • 6599AD
  • 5865AD
  • MCULE-8
  • HAJOS-PARRISH KETONE
  • 7A-METHYL-2,3,7,7A-TETRAHYDRO-1H-INDENE-1,5(6H)-DIONE
  • 7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
  • 7a-methyl-2,3,7,7a-tetrahydro-6h-indene-1,5-dione
  • FT-0605245
  • CS-0340361
  • DTXSID00344375
  • SB34877
  • 19576-08-0
  • SB34286
  • CCG-54408
  • MFCD00135278
  • SR-01000643505-1
  • AKOS027320134
  • A880120
  • 7alpha-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
  • 7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione #
  • AS-69328
  • (S)-(+)-7a-Methyl-2,3,7,7a-tetrahydro-6H-indene-1,5-dione
  • AKOS000279607
  • 7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
  • Hajos-Parrish ketone, racemic
  • D92629
  • 7a-methyl-2,3,5,6,7,7a-hexahydro-1H-indene-1,5-dione
  • SCHEMBL2549762
  • T2635
  • 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-methyl-
  • FT-0637879
  • EN300-6486589
  • Z1198150997
物化性质
实验特性
LogP 1.64490
PSA 34.14000
折射率 1.524
沸点 310.6 °C at 760 mmHg
熔点 69.0 to 73.0 deg-C
闪点 310.6 °C at 760 mmHg
密度 1.13
计算特性
精确分子量 164.08400
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 0
同位素质量 164.083729621g/mol
重原子数量 12
复杂度 288
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) 0.3
拓扑分子极性表面积 34.1
海关数据
海关编码 2914190090
海关数据

中国海关编码:

2914190090

概述:

2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

相关文献
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    Aki Kohyama,Aya Shiuchi,Yue Zhou,Masaru Tanioka,Kenji Sugimoto,Hiroaki Sakurai,Yuji Matsuya Org. Biomol. Chem. 2023 21 4656
专业数据库参考
PubChemId 87561403
参考资料
Reaxys RN 2047542
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