7-乙氧基-4-甲基香豆素 | 87-05-8
中文名称:
7-乙氧基-4-甲基香豆素
英文名称:
7-Ethoxy-4-methylcoumarin
CAS No.:
87-05-8
分子式:
C1 2 H1 2 O3
分子量:
204.221883773804
名称和标识符
MDL
MFCD00016971
InChIKey
NKRISXMDKXBVRJ-UHFFFAOYSA-N
Inchi
1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3
SMILES
O=C1C=C(C)C2C(=CC(=CC=2)OCC)O1
BRN
169998
别名信息
- 中文别名 -
7-乙氧基-4-甲基香豆素
4-甲基-7-乙氧基香豆素
7-Ethoxy-4-methylcoumarin 7-乙氧基-4-甲基香豆素
7-乙氧基-4-甲基-2H-CHROMEN-2-酮
- 英文别名 -
7-Ethoxy-4-methylcoumarin
7-Ethoxy-4-methyl-2H-chromen-2-one
Ethyl 4-methylumbelliferyl ether
4-Methyl-7-ethoxycoumarin
7-ETHOXY-4-METHYLCOUMARIN FOR FLUORESCENCE
METHYL-7-METHOXYCOUMARIN, 4-(AS) PrintBack
7-ethoxy-4-methylchromen-2-one
2H-1-Benzopyran-2-one, 7-ethoxy-4-methyl-
Coumarin, 7-ethoxy-4-methyl-
ZLV1S0NNZH
NSC60561
Coumarin, 7-ethoxy-4-methyl- (8CI)
ST060225
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one
Madescol
Maraniol
Morlin
Ethoxy resocyanin
7-ethoxy-4-methyl-chromen-2-one
PubChem8679
7-Ethoxy-4-methylcoumari
7-ethoxy-4-methyl-coumarin
7-Ethoxy-4-methyl-2H-1-benzopyran-2-one (ACI)
Coumarin, 7-ethoxy-4-methyl- (6CI, 8CI)
4-Methylumbelliferone ethyl ether
NSC 60561
物化性质
实验特性
LogP
2.50010
PSA
39.44000
折射率
1.548
沸点
351.4 °C at 760 mmHg
熔点
111.0 to 117.0 deg-C
闪点
351.4 °C at 760 mmHg
溶解度
DMF: soluble
颜色与性状
不确定
溶解性
易溶于水。
密度
1.163
计算特性
精确分子量
204.07900
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
204.079
重原子数量
15
复杂度
283
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)
2.6
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
169998
Beilstein
18(5)1,441
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