7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮 | 19576-08-0
中文名称:
7a-甲基-2,3,5,6,7,7a-六氢-1H-茚-1,5-二酮
英文名称:
7a-Methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-dione
CAS No.:
19576-08-0
分子式:
C1 0 H1 2 O2
分子量:
164.2011
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%
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