7-乙氧基香豆素 | 31005-02-4
中文名称:
7-乙氧基香豆素
英文名称:
7-ethoxycoumarin
CAS No.:
31005-02-4
分子式:
C1 1 H1 0 O3
分子量:
190.1953
名称和标识符
MDL
MFCD00006877
InChIKey
LIFAQMGORKPVDH-UHFFFAOYSA-N
Inchi
InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
SMILES
CCOC1=CC2=C(C=C1)C=CC(=O)O2
BRN
146200
别名信息
- 中文别名 -
7-乙氧基香豆素
7-Ethoxycoumarin 7-乙氧基香豆素
7-乙氧基-2H-1-苯并吡喃-2-酮
7-乙氧基香豆素(RG)
7-乙氧基苯并吡喃-2-酮
- 英文别名 -
7-ethoxycoumarin
7-ethoxychromen-2-one
ETHOXYCOUMARIN, 7-(RG) PrintBack
2H-1-Benzopyran-2-one,7-ethoxy
7-Ethoxy-1-benzopyran-2-one
7-ethoxy-2H-chromen-2-one
7-ethoxy-chromen-2-one
7-ethoxy-coumarin
ETHOXYCOUMARIN
Ethylumbelliferone
umbelliferone ethyl ether
7-Ethoxycoumarin
PS-3457
HMS1722P19
Z54853033
SCHEMBL119072
Coumarin, 7-ethoxy-
7-ETHOXYCOUMARIN
31005-02-4
FT-0668094
7-Ethoxycoumarine
E0538
DTXSID30184983
UNII-C8K66XCQ6L
2H-1-Benzopyran-2-one, 7-ethoxy-
1ST164100
FT-0621404
FT-0621405
SY050117
7-ethoxy-2H-1-benzopyran-2-one
BDBM50303500
AKOS001042905
C8K66XCQ6L
NS00029010
CHEBI:28184
Q27103553
E-5002
A820688
HY-133091
D81908
EINECS 250-429-4
CHEMBL191528
7-Ethoxycoumarin, 99.5%
CS-0110669
MFCD00006877
物化性质
实验特性
LogP
2.19170
PSA
39.44000
折射率
1.4260 (estimate)
水溶性
Soluble in hot methanol (very faint turbidity), 95% ethanol (50 mg/ml), DMF, and DMSO. Insoluble in water.
沸点
265.69°C (rough estimate)
熔点
88.0 to 92.0 deg-C
闪点
143.1°C
溶解度
微溶 (1.1 g/L) (25 ºC),
颜色与性状
Cryst.
溶解性
几乎不溶于水
密度
1.206±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
190.06300
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
2
同位素质量
190.062994
重原子数量
14
复杂度
247
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)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
35.5
海关数据
海关编码
2932209090
海关数据
中国海关编码:
2932209090
概述:
2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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参考资料
Reaxys RN
146200
Beilstein
18(5)1,387
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