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4-苄氧基-3-甲氧基苯乙酸 | 29973-91-9

4-苄氧基-3-甲氧基苯乙酸
4-Benzyloxy-3-methoxyphenylacetic acid
29973-91-9
C16H16O4
272.2958
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-苄氧基-3-甲氧基苯乙酸结构式
354333834
名称和标识符
MDL MFCD00185562
InChIKey AYCIHUSEBJLTBF-UHFFFAOYSA-N
Inchi 1S/C16H16O4/c1-19-15-9-13(10-16(17)18)7-8-14(15)20-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,17,18)
SMILES O(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C(C([H])([H])C(=O)O[H])=C([H])C=1OC([H])([H])[H]
别名信息
- 中文别名 -
  • 4-苄氧基-3-甲氧基苯乙酸
  • 4-苄氧基-3-甲氧苯基乙酸
  • 4-苄氧基-3-甲氧基苯基乙酸
- 英文别名 -
  • Benzeneacetic acid,3-methoxy-4-(phenylmethoxy)-
  • 4-Benzyloxy-3-methoxyphenylacetic Acid
  • 2-(3-methoxy-4-phenylmethoxyphenyl)acetic acid
  • NSC 169521
  • 2-(4-(benzyloxy)-3-methoxyphenyl)acetic acid
  • 2-[4-(benzyloxy)-3-methoxyphenyl]acetic acid
  • Benzeneacetic acid, 3-methoxy-4-(phenylmethoxy)-
  • (4-benzyloxy-3-methoxy-phenyl)-acetic acid
  • NSC169521
  • Maybridge3_000484
  • Oprea1_036792
  • MLS000849836
  • AYCIHUSEBJLTBF-UHFFFAOYSA-N
  • HMS1432F22
  • HM
  • SR-01000642023-1
  • BRD-K32333469-001-07-1
  • 3-methoxy-4-benzyloxyphenylacetic acid
  • IDI1_011871
  • (4-benzyloxy-3-methoxyphenyl)acetic acid
  • T70730
  • AKOS002671908
  • B4800
  • J-017714
  • CHEMBL1715051
  • 2-(4-(benzyloxy)-3-methoxyphenyl)aceticacid
  • 2-(4-benzyloxy-3-methoxy-phenyl)acetic acid
  • 2-(4-benzyloxy-3-methoxyphenyl) acetic acid
  • [4-(benzyloxy)-3-methoxyphenyl]acetic acid
  • 4-Benzyloxy-3-methoxyphenylacetic acid, 98%
  • MFCD00185562
  • NSC-169521
  • SMR000455854
  • A820131
  • DTXSID20305165
  • CS-0147888
  • 4-Benzyloxy-3-methoxyphenylacetic acid
  • 29973-91-9
  • FT-0638896
  • 4-benzyloxy-3-methoxy-phenylacetic acid
  • SCHEMBL1114985
  • HMS2781J04
  • CCG-52814
  • 4-benzyloxy-3-methoxy phenyl acetic acid
  • AS-63639
物化性质
实验特性
LogP 2.90130
PSA 55.76000
折射率 1.581
沸点 440.1±35.0 °C at 760 mmHg
熔点 116.0 to 120.0 deg-C
蒸气压 0.0±1.1 mmHg at 25°C
闪点 162.6±19.4 °C
溶解度 Very 微溶 (0.25 g/L) (25 ºC),
颜色与性状 无可用
溶解性 无可用
密度 1.207±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 272.10500
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 6
同位素质量 272.105
重原子数量 20
复杂度 299
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
互变异构体数量
表面电荷 0
拓扑分子极性表面积 55.8
海关数据
海关编码 2918990090
海关数据

中国海关编码:

2918990090

概述:

2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

相关文献
  • 1. CCCCV.—Experiments on the synthesis of phenolic aporphines. Part IV. Laurotetanine
    Roderick Langton Douglas,John Masson Gulland J. Chem. Soc. 1931 2893
  • 2. Biosynthesis. Part 27.1,2 Colchicine: studies of the phenolic oxidative coupling and ring-expansion processes based on incorporation of multiply labelled 1-phenethylisoquinolines
    Edward McDonald,Robert Ramage,Robert N. Woodhouse,Edward W. Underhill,Leslie R. Wetter,Alan R. Battersby J. Chem. Soc. Perkin Trans. 1 1998 2979
  • 3. Formula index
    J. Chem. Soc. 1931 3445
  • 4. Studies of enzyme-mediated reactions. Part 9. Stereochemistry of oxidative ring cleavage adjacent to nitrogen during the biosynthesis of chelidonine
    Alan R. Battersby,James Staunton,Michael C. Summers,Robert Southgate J. Chem. Soc. Perkin Trans. 1 1979 45
  • 5. CCCCIV.—Experiments on the synthesis of phenolic aporphines. Part III. 3-Hydroxy-4 : 5 : 6-trimethoxyaporphine
    John Masson Gulland,Katherine Isobel Ross,Norman Bryce Smellie J. Chem. Soc. 1931 2885
  • 6. Biosynthesis. Part 25. Proof that hasubanonine and protostephanine are biosynthesised from the 1-benzylisoquinoline system
    Alan R. Battersby,Raymond C. F. Jones,Akwasi Minta,Anthony P. Ottridge,James Staunton J. Chem. Soc. Perkin Trans. 1 1981 2030
专业数据库参考
PubChemId 354333834
参考资料
Reaxys RN 2150519
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